CAS No.: 474-58-8 — Sitogluside (刺五加苷A(胡萝卜苷）)

1. Primary Information

English name:	Sitogluside
CAS No.:	474-58-8
Molecular formula:	C₃₅H₆₀O₆
Molecular weight:	576.8 g/mol
SMILES:	CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
Structural class:
Other identifiers:	beta-sitosterol glucoside beta-sitosterol glucutonide beta-sitosterol-beta-D-glycoside beta-sitosteryl-beta-D-glucopyranoside daucosterol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	500	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 101105 0 1 0 0 0 0 0999 V2000 5.4239 -0.1538 -1.3467 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8845 1.1853 -0.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -2.4203 -0.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 -1.7050 -0.1868 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9648 0.4553 1.7268 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 3.4718 1.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 0.0068 -0.0415 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2039 -0.4738 1.0143 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8746 -0.9367 0.4096 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2437 0.2264 -0.4104 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4145 0.3235 0.8903 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6105 1.2284 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.2145 -1.0887 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0041 -1.4532 1.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 0.8902 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 -0.8591 1.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -1.3933 1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7622 0.5432 0.2183 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5974 -1.0700 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 -1.0050 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 1.0697 -1.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 -1.5060 1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 -1.1091 -2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 -1.2050 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3271 0.8260 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8468 0.8090 1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 0.1083 -0.8611 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6630 1.6852 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2513 1.1446 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9673 0.0291 -0.0497 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3835 -0.1379 -0.2903 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3338 0.5043 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0883 -1.2607 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 -1.0937 -0.6681 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1798 1.7338 -1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4065 0.7766 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6616 -1.0245 0.3409 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7145 -2.4408 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 1.2750 0.9481 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0639 0.4231 0.6229 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1968 2.7470 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9665 0.3782 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -1.7939 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 1.0093 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 1.2285 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 2.0456 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2337 1.6250 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 -2.4553 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -1.5431 2.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 1.8182 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 0.2436 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -0.5132 2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 -1.6346 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 -0.6989 2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 -2.3693 1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0618 -0.3627 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1128 -1.9250 -0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7248 -1.4726 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -0.6668 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 1.7926 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 1.5594 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 -2.0393 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2325 -1.9712 -2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 -1.5066 -2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3746 -0.5540 -3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 -1.6732 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 -1.9205 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 1.7831 -2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 0.2507 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9173 -0.0279 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5249 1.6658 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.7799 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1747 1.3603 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1505 2.5601 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6457 2.0184 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2096 2.0764 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8664 1.3791 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3294 -0.2116 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9211 -0.4786 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7107 -0.2984 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6444 -1.0648 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0884 -1.5871 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 -0.8767 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3690 1.5910 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9813 2.6453 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1016 1.9037 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3466 1.0745 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1122 1.5842 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6195 -0.1132 1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -1.5455 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 -2.6321 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7756 -2.2729 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6388 -3.3444 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3535 0.9354 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 0.8294 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6509 -2.6305 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6289 3.1622 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9019 2.8983 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5144 -1.6314 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4994 0.1032 2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 3.3256 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 2 39 1 0 0 0 0 3 34 1 0 0 0 0 3 96 1 0 0 0 0 4 37 1 0 0 0 0 4 99 1 0 0 0 0 5 40 1 0 0 0 0 5100 1 0 0 0 0 6 41 1 0 0 0 0 6101 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 22 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 26 1 0 0 0 0 18 28 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 27 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 27 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 78 1 0 0 0 0 31 34 1 0 0 0 0 31 79 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 32 80 1 0 0 0 0 33 38 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 37 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 40 1 0 0 0 0 37 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 94 1 0 0 0 0 40 95 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChI

InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1

4.3 InChIKey

NPJICTMALKLTFW-OFUAXYCQSA-N

4.4 Canonical SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C

4.5 Isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)