| SpectraBase Compound ID | LneHfxNgqqA |
|---|---|
| InChI | InChI=1S/C32H56O2/c1-20(2)26(21(3)4)11-9-22(5)28-13-14-29-27-12-10-24-19-25(34-23(6)33)15-17-31(24,7)30(27)16-18-32(28,29)8/h20-22,24-30H,9-19H2,1-8H3/t22-,24+,25+,27+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | NBUHCUWDPIOIJO-FIRCPBKFSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C32H56O2 |
| Exact Mass | 472.428031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6StsaosOvJj |
|---|---|
| Name | 24-Isopropyl-5.alpha.-cholestan-3.beta.-ol - Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H56O2 |
| InChI | InChI=1S/C32H56O2/c1-20(2)26(21(3)4)11-9-22(5)28-13-14-29-27-12-10-24-19-25(34-23(6)33)15-17-31(24,7)30(27)16-18-32(28,29)8/h20-22,24-30H,9-19H2,1-8H3/t22-,24+,25+,27+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | NBUHCUWDPIOIJO-FIRCPBKFSA-N |
| Molecular Weight | 472.798 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(C(C)C)C(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-014i-0091400000-74151d244e55b822523a |
| Source of Spectrum | X4-21-223-0 |
| Synonyms | (1S,2S,5S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-(propan-2-yl)heptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate Acetic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-propan-2-ylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-propan-2-ylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-isopropyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-propan-2-yl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1585827 |