| SpectraBase Compound ID | Bj3WSDmGlEO |
|---|---|
| InChI | InChI=1S/C28H42O6/c1-16(29)32-19-8-11-26(3)18(14-19)15-22(33-17(2)30)25-20-6-7-23(27(20,4)12-9-21(25)26)28(5)13-10-24(31)34-28/h18-23,25H,6-15H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27-,28-/m0/s1 |
| InChIKey | LCJFMPREOGABOY-IAYSALHYSA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C28H42O6 |
| Exact Mass | 474.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GqO8yj9LfCY |
|---|---|
| Name | (20S) 3.alpha.,7.beta.-Diacetoxy-5.beta.-cholane O-24,20-lactone |
| Alternate Name(s) | Acetic acid [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetyloxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxo-2-oxolanyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetyloxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetoxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetyloxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxidanylidene-oxolan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O6 |
| InChI | InChI=1S/C28H42O6/c1-16(29)32-19-8-11-26(3)18(14-19)15-22(33-17(2)30)25-20-6-7-23(27(20,4)12-9-21(25)26)28(5)13-10-24(31)34-28/h18-23,25H,6-15H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27-,28-/m0/s1 |
| InChIKey | LCJFMPREOGABOY-IAYSALHYSA-N |
| Molecular Weight | 474.638 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])C[C@@]3(OC(=O)C)[H])C)([H])CC1)[H])(CC[C@@]2([C@]1(OC(=O)CC1)C)[H])[H])C |
| SPLASH | splash10-0h00-0093000000-ffb765d0d32990757d1c |
| Source of Spectrum | E2-50-1332-0 |
| Wiley ID | 1555957 |