| SpectraBase Compound ID | A3eBfAD5IEa |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h10,19,23-29H,8-9,11-18H2,1-7H3/b20-10+ |
| InChIKey | AMUKHJXKDBSZLO-KEBDBYFISA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GjApqkZO9w |
|---|---|
| Name | Cholest-20(22)-ene-3,6-diol, diacetate, (3.beta.,5.alpha.,6.alpha.)- |
| CAS Registry Number | 41084-09-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h10,19,23-29H,8-9,11-18H2,1-7H3/b20-10+ |
| InChIKey | AMUKHJXKDBSZLO-KEBDBYFISA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | CC(C)CC\C=C/(C)C1CCC2C3CC(OC(C)=O)C4CC(CCC4(C)C3CCC12C)OC(C)=O |
| SPLASH | splash10-0041-9622100000-e434cc83f934498ec180 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (20E)-3-(Acetyloxy)cholest-20(22)-en-6-yl acetate Acetic acid [6-acetyloxy-10,13-dimethyl-17-[(E)-6-methylhept-2-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [6-acetyloxy-10,13-dimethyl-17-[(E)-6-methylhept-2-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [6-acetoxy-17-[(E)-1,5-dimethylhex-1-enyl]-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 [6-acetyloxy-10,13-dimethyl-17-[(E)-6-methylhept-2-en-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 | 1396563 |