CAS No.: 6990-06-3 — Fusidic Acid (夫西地酸)

1. Primary Information

English name:	Fusidic Acid
CAS No.:	6990-06-3
Molecular formula:	C₃₁H₄₈O₆
Molecular weight:	516.7 g/mol
SMILES:	CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C
Structural class:
Other identifiers:	Acid, Fusidic Fucithalmic Fusidate Sodium Fusidate, Silver Fusidate, Sodium

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	120	RT	in stock	-
Kehua Intelligence	250mg	98%	24	RT	in stock	-
Kehua Intelligence	1g	98%	44	RT	in stock	-
Kehua Intelligence	5g	98%	143	RT	in stock	-
Kehua Intelligence	25g	98%	640	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 85 88 0 1 0 0 0 0 0999 V2000 -1.2813 1.9280 -1.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -3.0258 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2671 1.4292 -1.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 -0.9052 -1.5051 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 -1.4881 0.6869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8775 -4.9816 -0.7702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 -0.9013 -0.1012 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0082 0.5248 0.5269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1844 -1.2595 0.1400 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5590 0.9120 0.6851 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5174 -0.1860 0.1094 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7026 -0.1379 -0.4719 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6500 -1.8998 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 1.6265 0.0201 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1522 -1.6063 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 1.2196 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 -2.5016 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9357 2.2585 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 0.1565 0.3092 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0549 -0.9485 -1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -0.7763 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -2.2601 -0.7359 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1368 -1.4868 1.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 1.0713 2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4169 2.6342 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3547 1.5261 -0.3253 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9526 -0.9239 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 -0.1711 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 1.2913 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 -0.9281 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -4.3845 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 1.7702 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 -5.0587 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 3.2029 0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 4.3020 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0377 5.6636 0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 4.3144 -1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 0.4194 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -0.1962 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 -0.0063 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4037 -1.9013 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -2.9248 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 2.5461 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 -2.3259 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -1.8224 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6894 1.2054 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 2.0112 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -2.5709 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0876 -3.4221 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 2.2187 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 3.0790 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2462 0.2114 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -1.9038 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 -0.1475 -1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -0.8380 -2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 -2.5136 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -1.5688 1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 -0.6827 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 -2.4213 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 0.1415 2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1404 1.8524 2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8155 1.3501 2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6444 2.8914 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5946 3.5411 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3885 1.8047 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7137 -1.1448 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8755 -1.8554 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9991 -0.6037 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6946 2.6607 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3418 1.3039 -2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 1.9005 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 1.4758 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 1.6338 -0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 1.1682 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 -4.7817 2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -4.7751 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 -6.1434 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 -1.3963 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5971 3.3343 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 5.6190 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 6.3008 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0104 6.1417 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 3.3305 -1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2787 4.6706 -1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5534 4.9838 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 69 1 0 0 0 0 2 22 1 0 0 0 0 2 31 1 0 0 0 0 3 26 1 0 0 0 0 3 70 1 0 0 0 0 4 30 1 0 0 0 0 4 78 1 0 0 0 0 5 30 2 0 0 0 0 6 31 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 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 46 1 0 0 0 0 16 47 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 25 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 28 2 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 35 2 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

4.2 InChI

InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1

4.3 InChIKey

IECPWNUMDGFDKC-MZJAQBGESA-N

4.4 Canonical SMILES

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C

4.5 Isomeric SMILES

C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)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)