| SpectraBase Compound ID | 97aLA5TEFAn |
|---|---|
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3 |
| InChIKey | IHOQNBAZWVTKFK-UHFFFAOYSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C34H48O2 |
| Exact Mass | 488.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DGoHikS62XE |
|---|---|
| Name | Cholesta-5,7-dien-3-ol, benzoate, (3.beta.)- |
| CAS Registry Number | 1182-06-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48O2 |
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3 |
| InChIKey | IHOQNBAZWVTKFK-UHFFFAOYSA-N |
| Molecular Weight | 488.756 g/mol |
| SMILES | CC12C3C(C4C(C)(C(C(CCCC(C)C)C)CC4)CC3)=CC=C1CC(OC(=O)c1ccccc1)CC2 |
| SPLASH | splash10-001i-0029000000-6e16748cdb5cd9a13817 |
| Source of Spectrum | EP-2200-0-0 |
| Synonyms | Cholesta-5,7-dien-3-yl benzoate .delta.5,7-Cholesteryl benzoate 3.beta.-Benzoyloxycholesta-5,7-diene 5,7-Cholestandien-3.beta.-ol, benzoate 7-Dehydrocholesterol benzoate 7-Dehydrocholesteryl benzoate Cholesta-5,7-dien-3-ol, benzoate, (3beta)- Cholesta-5,7-dien-3.beta.-ol, benzoate delta5,7-Cholesteryl benzoate benzoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate EINECS 214-653-6 NSC 18184 |
| Wiley ID | 1397012 |