| SpectraBase Compound ID | AULVWgvM32a |
|---|---|
| InChI | InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17,19,21-24H,3,7-14,16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,27-,28-/m1/s1 |
| InChIKey | AFPIZEGCVWFIIW-DQQDKUJHSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C28H42O2 |
| Exact Mass | 410.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FJkNnXvcvgI |
|---|---|
| Name | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O2 |
| InChI | InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17,19,21-24H,3,7-14,16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,27-,28-/m1/s1 |
| InChIKey | AFPIZEGCVWFIIW-DQQDKUJHSA-N |
| Molecular Weight | 410.642 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)C(C[C@]1([C@@]3(CC[C@]([C@@](CCC(C(C)C)=C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)=O |
| SPLASH | splash10-052r-0695000000-0f6c4498733cbd02e7bd |
| Source of Spectrum | X2-53-1265-2 |
| Synonyms | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione (8S,9S,10R,13R,14S,17R)-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone |
| Wiley ID | 1603707 |