| SpectraBase Compound ID | 8zHEIbxK8N1 |
|---|---|
| InChI | InChI=1S/C25H36O2/c1-5-6-7-16(2)19-8-9-20-23-21(11-13-25(19,20)4)24(3)12-10-18(26)14-17(24)15-22(23)27/h15-16,18-21,23,26H,7-14H2,1-4H3/t16-,18+,19-,20+,21+,23+,24+,25-/m1/s1 |
| InChIKey | HHGLFNRDPUBPSI-GBWULGRTSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C25H36O2 |
| Exact Mass | 368.27153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 53LcUf3iWVR |
|---|---|
| Name | Gelliusterol B |
| Alternate Name(s) | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hex-4-yn-2-yl]-10,13-dimethyl-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-[(2R)-hex-4-yn-2-yl]-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-[(1R)-1-methylpent-3-ynyl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O2 |
| InChI | InChI=1S/C25H36O2/c1-5-6-7-16(2)19-8-9-20-23-21(11-13-25(19,20)4)24(3)12-10-18(26)14-17(24)15-22(23)27/h15-16,18-21,23,26H,7-14H2,1-4H3/t16-,18+,19-,20+,21+,23+,24+,25-/m1/s1 |
| InChIKey | HHGLFNRDPUBPSI-GBWULGRTSA-N |
| Molecular Weight | 368.561 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](CC#CC)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H] |
| SPLASH | splash10-0673-4449000000-29245f211efb3788540a |
| Source of Spectrum | G4-64-743-2 |
| Wiley ID | 1609035 |