| SpectraBase Compound ID | KaEu06ou8f6 |
|---|---|
| InChI | InChI=1S/C34H48O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-29,31H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,31+,33+,34-/m1/s1 |
| InChIKey | CSZVQZAYIQQOMB-CKZQZXSRSA-N |
| Mol Weight | 504.8 g/mol |
| Molecular Formula | C34H48O3 |
| Exact Mass | 504.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 47MWMHf3njG |
|---|---|
| Name | 3.beta.-Benzoyloxy-5-cholestene-7-one |
| CAS Registry Number | 6997-41-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48O3 |
| InChI | InChI=1S/C34H48O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-29,31H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,31+,33+,34-/m1/s1 |
| InChIKey | CSZVQZAYIQQOMB-CKZQZXSRSA-N |
| Molecular Weight | 504.755 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)c2ccccc2)(C4)[H])C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0l1i-2903000000-ad6ebafe9b90f44c9143 |
| Source of Spectrum | C-118-7729-22 |
| Synonyms | (3beta)-7-oxocholest-5-en-3-yl benzoate benzoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate |
| Wiley ID | 759862 |