| SpectraBase Compound ID | 6Fr7DKxLusu |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h14,17,19-22H,1,6-13,15H2,2-5H3/t17-,19+,20-,21+,22+,26-,27-/m1/s1 |
| InChIKey | QBELBHLXULBXFK-RTOMBPRPSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FUyYm5p496H |
|---|---|
| Name | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-oxidanylidene-hept-6-en-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 | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h14,17,19-22H,1,6-13,15H2,2-5H3/t17-,19+,20-,21+,22+,26-,27-/m1/s1 |
| InChIKey | QBELBHLXULBXFK-RTOMBPRPSA-N |
| Molecular Weight | 410.598 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)C(C[C@]1([C@@]3(CC[C@]([C@@](CCC(C(=C)C)=O)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)=O |
| SPLASH | splash10-01q9-9021500000-e8974fdb1c754c1cb22a |
| Source of Spectrum | G4-60-903-7 |
| Synonyms | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-oxohept-6-en-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-oxo-hex-5-enyl]-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-keto-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone |
| Wiley ID | 1606814 |