CAS No.: 79-62-9 — 24,25-Dihydrolanosterol (二氢羊毛甾醇)

1. Primary Information

English name:	24,25-Dihydrolanosterol
CAS No.:	79-62-9
Molecular formula:	C₃₀H₅₂O
Molecular weight:	428.7 g/mol
SMILES:	CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
Structural class:
Other identifiers:	(3beta,20S)-isomer of lanostenol (3beta,5xi,14xi)-isomer of lanostenol 24,25-dihydrolanosterol 5 alpha-lanost-8-en-3 beta-ol lanostenol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	HPLC≥98%	1920	RT	in stock	-
Kehua Intelligence	10mg	≥90%	320	RT	in stock	-
Kehua Intelligence	100mg	≥90%	1600	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 83 86 0 1 0 0 0 0 0999 V2000 -6.3279 1.6759 -0.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 0.3474 0.7487 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4543 -0.9300 0.1635 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6387 -0.0714 0.7262 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1629 0.6534 -0.0765 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0603 -0.7643 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -0.7192 -0.2820 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6183 0.4506 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -2.0243 1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 1.5394 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 -1.5556 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7469 1.7049 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 -0.6581 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 -2.0112 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 -1.7750 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6029 0.7633 1.5607 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5772 1.5919 -1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 0.6769 2.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -1.2427 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9583 0.6647 -1.0348 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8979 1.2523 -1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5081 1.3165 1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 0.2704 1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9322 -1.8286 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1678 -0.8898 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 2.2325 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 0.2183 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -0.3477 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7002 -0.3333 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 1.0681 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 -1.2756 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 -0.0277 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -1.0633 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 -3.0179 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6766 -2.1106 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 1.4211 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1746 2.4903 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9211 -1.6980 2.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -2.1535 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 2.1581 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 2.4465 0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 -2.6891 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -2.5369 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 -2.7320 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 -1.4687 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 0.7115 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 1.5776 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 2.6310 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 0.7184 2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 -0.0648 2.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 1.6498 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 -0.4736 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8524 -1.3570 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3156 -2.1881 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8637 0.4648 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2748 2.1658 -2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 0.5446 -2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 2.2983 1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 1.4951 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.7121 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 0.9084 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 -0.7316 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0248 -1.8535 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6179 -2.8013 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -1.7307 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 -0.7758 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 -0.1889 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9898 -1.9009 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4161 2.7774 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 2.7538 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 2.3478 0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 -0.4033 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 1.2307 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6551 2.4407 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 -1.3723 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 0.2423 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7293 -0.7036 -1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 1.7816 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 1.0611 -2.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 1.4377 -2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8241 -2.2716 -1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4457 -1.3908 -3.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 -0.9020 -2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 74 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 5 22 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 20 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 23 1 0 0 0 0 16 26 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 27 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 29 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

4.2 InChI

InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

4.3 InChIKey

MBZYKEVPFYHDOH-BQNIITSRSA-N

4.4 Canonical SMILES

CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C

4.5 Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)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)