| SpectraBase Compound ID | 98OUfLwf6Iw |
|---|---|
| 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/h10,19,23-24,26-27H,7-9,11-18H2,1-6H3/b25-20+ |
| InChIKey | VATJYEZLSWNEDZ-LKUDQCMESA-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 | FoZfkWFvnEo |
|---|---|
| Name | Cholesta-5,17(20)-dien-3-ol, acetate, (3.beta.,17E)- |
| CAS Registry Number | 56312-72-2 |
| Copyright | Copyright © 2020-2024 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/h10,19,23-24,26-27H,7-9,11-18H2,1-6H3/b25-20+ |
| InChIKey | VATJYEZLSWNEDZ-LKUDQCMESA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | CC(C)CCC\C(C)=C/1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O |
| SPLASH | splash10-00lr-8953000000-8e441b6711e1317e38e1 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (17E)-Cholesta-5,17-dien-3-yl acetate Cholesta-5,17(20)-dien-3-ol, acetate, (3.beta.,17Z)- Acetic acid [(17E)-10,13-dimethyl-17-(6-methylheptan-2-ylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(17E)-10,13-dimethyl-17-(6-methylheptan-2-ylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(17E)-17-(1,5-dimethylhexylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(17E)-10,13-dimethyl-17-(6-methylheptan-2-ylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1380133 |