| SpectraBase Compound ID | 9QNgdc0AdZA |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23,25-26H,7-9,11-18H2,1-6H3/t20-,23+,25-,26+,28+,29-/m1/s1 |
| InChIKey | OVHMSANPJXUPAQ-DQQIOUCKSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0Whz03WQqG |
|---|---|
| Name | 3.beta.-Acetoxycholesta-5,8-diene |
| CAS Registry Number | 17137-76-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23,25-26H,7-9,11-18H2,1-6H3/t20-,23+,25-,26+,28+,29-/m1/s1 |
| InChIKey | OVHMSANPJXUPAQ-DQQIOUCKSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | C12=C([C@@]3(CC[C@@]([C@]3(CC2)C)([C@@](CCCC(C)C)(C)[H])[H])[H])CC=C2[C@@]1(CC[C@](OC(=O)C)(C2)[H])C |
| SPLASH | splash10-0uxr-0029000000-783543d2fb966bcbd649 |
| Source of Spectrum | J-46-3422-0 |
| Synonyms | (3beta)-cholesta-5,8-dien-3-yl acetate Acetic acid [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1380142 |