| SpectraBase Compound ID | CwGxvQz0cFK |
|---|---|
| InChI | InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,8-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | KGLIARATBBHHHP-ABXCMAEBSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C27H40O2 |
| Exact Mass | 396.302831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BCb87jL5dvz |
|---|---|
| Name | Gelliusterol C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O2 |
| InChI | InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,8-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | KGLIARATBBHHHP-ABXCMAEBSA-N |
| Molecular Weight | 396.615 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](CC#CC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H] |
| SPLASH | splash10-07wc-8947000000-7156122ba657251e272f |
| Source of Spectrum | G4-64-743-4 |
| Synonyms | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-4-yn-2-yl]-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-3-ynyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-4-yn-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| Wiley ID | 1609034 |