| SpectraBase Compound ID | 47bH6bQWaV1 |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-16(2)25(31-30)9-6-17(3)20-7-8-21-19-15-24(29)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h14,17,19-22,25,30H,1,6-13,15H2,2-5H3/t17-,19?,20?,21?,22?,25?,26?,27?/m1/s1 |
| InChIKey | ONIMZWICGJPVTQ-WJHXMMDMSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5MZgboTEl6U |
|---|---|
| Name | 24.eta.-(Hydroperoxy)cholesta-4,25-diene-3,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-16(2)25(31-30)9-6-17(3)20-7-8-21-19-15-24(29)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h14,17,19-22,25,30H,1,6-13,15H2,2-5H3/t17-,19?,20?,21?,22?,25?,26?,27?/m1/s1 |
| InChIKey | ONIMZWICGJPVTQ-WJHXMMDMSA-N |
| Molecular Weight | 428.613 g/mol |
| SMILES | OOC(C(=C)C)CC[C@](C1C2(CCC3C(C2CC1)CC(C=1C3(CCC(=O)C1)C)=O)C)(C)[H] |
| SPLASH | splash10-001i-0091200000-84f30699f30ccc7045d3 |
| Source of Spectrum | G4-60-903-3 |
| Synonyms | 17-[(2R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-[(1R)-4-hydroperoxy-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-dione 17-[(2R)-5-(dioxidanyl)-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| Wiley ID | 1606818 |