| SpectraBase Compound ID | 7t9MWYrrqSo |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h9,18-19,21-25,29H,6-8,10-17H2,1-5H3/t18-,19?,21+,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | RVFZGHXHOQRLSD-BCXAENEVSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8MqPJDTGvi9 |
|---|---|
| Name | Methyl 3.beta.-hydroxycholest-5-en-26-oate |
| CAS Registry Number | 56845-86-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h9,18-19,21-25,29H,6-8,10-17H2,1-5H3/t18-,19?,21+,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | RVFZGHXHOQRLSD-BCXAENEVSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCCC(C(=O)OC)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-02n9-0055900000-360b31df5c715a493e22 |
| Source of Spectrum | F5-7-920-27 |
| Synonyms | (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid methyl ester Methyl (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoate Methyl (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate Methyl (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate |
| Wiley ID | 1696364 |