| SpectraBase Compound ID | EN7z8qRPLIz |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,20-21,24-28H,9-11,13-19H2,1-8H3 |
| InChIKey | KPBRNIXLCMGZJO-UHFFFAOYSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H52O2 |
| Exact Mass | 456.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FWK1ezIkQ4o |
|---|---|
| Name | Cholest-7-en-3-ol, 4,4-dimethyl-, acetate, (3.beta.)- |
| CAS Registry Number | 17137-72-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O2 |
| InChI | InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,20-21,24-28H,9-11,13-19H2,1-8H3 |
| InChIKey | KPBRNIXLCMGZJO-UHFFFAOYSA-N |
| Molecular Weight | 456.755 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)=CCC2C(C)(C)C(CC1)OC(C)=O |
| SPLASH | splash10-052f-9400000000-f89c6c27f9b990a3bab8 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | 4,4-Dimethylcholest-7-en-3-yl acetate Cholest-7-en-3.beta.-ol, 4,4-dimethyl-, acetate Acetic acid [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 742602 |