| SpectraBase Compound ID | 7XI9y88Cwm9 |
|---|---|
| InChI | InChI=1S/C28H42O3/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/h13,15,17-19,22-25H,6-12,14,16H2,1-5H3/t18-,19?,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | AXNGNMFNKLCSSZ-LUGLCAACSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C28H42O3 |
| Exact Mass | 426.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GRur0z4fg5o |
|---|---|
| Name | (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O3 |
| InChI | InChI=1S/C28H42O3/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/h13,15,17-19,22-25H,6-12,14,16H2,1-5H3/t18-,19?,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | AXNGNMFNKLCSSZ-LUGLCAACSA-N |
| Molecular Weight | 426.641 g/mol |
| SMILES | C1(C=C[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C(=O)OC)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O |
| SPLASH | splash10-000i-9300000000-24c1104416a5ad6fec19 |
| Source of Spectrum | X2-68-1114-1 |
| Synonyms | (6R)-6-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-enanthic acid methyl ester Methyl (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate Methyl (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate |
| Wiley ID | 1609632 |