| SpectraBase Compound ID | 5d3gK6vJl24 |
|---|---|
| InChI | InChI=1S/C28H44O6/c1-16(6-9-25(31)32)21-7-8-22-26-23(11-13-28(21,22)5)27(4)12-10-20(33-17(2)29)14-19(27)15-24(26)34-18(3)30/h16,19-24,26H,6-15H2,1-5H3,(H,31,32)/t16-,19+,20-,21-,22+,23+,24+,26+,27+,28-/m1/s1 |
| InChIKey | FWTXKFKWESMCHS-VAYDCYEJSA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C28H44O6 |
| Exact Mass | 476.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXFGyNKfVJz |
|---|---|
| Name | 3.alpha.,7.beta.-diacetyloxy-5.beta.-cholan-24-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O6 |
| InChI | InChI=1S/C28H44O6/c1-16(6-9-25(31)32)21-7-8-22-26-23(11-13-28(21,22)5)27(4)12-10-20(33-17(2)29)14-19(27)15-24(26)34-18(3)30/h16,19-24,26H,6-15H2,1-5H3,(H,31,32)/t16-,19+,20-,21-,22+,23+,24+,26+,27+,28-/m1/s1 |
| InChIKey | FWTXKFKWESMCHS-VAYDCYEJSA-N |
| Molecular Weight | 476.654 g/mol |
| SMILES | OC(CC[C@]([C@@]1([C@@]2([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])[H])(CC1)[H])C)[H])(C)[H])=O |
| SPLASH | splash10-0a4i-0059000000-9daaab07f17578ee0ae6 |
| Source of Spectrum | F2-45-2915-2b |
| Synonyms | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Wiley ID | 1689237 |