![10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3-bis(oxidanyl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/1d5jR92997h/structure.png?h=300&w=458 "10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3-bis(oxidanyl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one")
| SpectraBase Compound ID | HcNWsYzyxm5 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-30H,6-13,15H2,1-5H3 |
| InChIKey | DHDBOVIXVFKNCT-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1d5jR92997h |
|---|---|
| Name | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3-bis(oxidanyl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-30H,6-13,15H2,1-5H3 |
| InChIKey | DHDBOVIXVFKNCT-UHFFFAOYSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC1C=C2C(CC3C(C2(CC1O)C)CCC1(C3CCC1C(CCCC(C)C)C)C)=O |
| SPLASH | splash10-0aou-9712100000-6a580832957dd9af157e |
| Synonyms | 17-(1,5-Dimethylhexyl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 17-(1,5-dimethylhexyl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one 2,3-Dihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one 2,3-Dihydroxycholest-4-en-6-one |
| Wiley ID | 1475466 |