| SpectraBase Compound ID | FQAERtbZghv |
|---|---|
| InChI | InChI=1S/C28H40O3/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/h8,13,15,17-18,22-25H,6-7,9-12,14,16H2,1-5H3/b19-8+/t18-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | UNYDIALNDIIQRC-WZLFECQKSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C28H40O3 |
| Exact Mass | 424.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8WcWrhKl7Lj |
|---|---|
| Name | (E,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-2-heptenoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O3 |
| InChI | InChI=1S/C28H40O3/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/h8,13,15,17-18,22-25H,6-7,9-12,14,16H2,1-5H3/b19-8+/t18-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | UNYDIALNDIIQRC-WZLFECQKSA-N |
| Molecular Weight | 424.625 g/mol |
| SMILES | C1(C=C[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@](CC\C=C\(C(=O)OC)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O |
| SPLASH | splash10-00di-0911200000-bad34b1e692cd7eaf1a2 |
| Source of Spectrum | X2-68-1114-2 |
| Synonyms | (E,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-hept-2-enoic acid methyl ester Methyl (E,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-hept-2-enoate Methyl (E,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-hept-2-enoate |
| Wiley ID | 1609631 |