| SpectraBase Compound ID | FAeeUni1Nzq |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | OIBDKISTMGYAJC-MBOCNQOASA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CkfiCNxyntx |
|---|---|
| Name | (3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | OIBDKISTMGYAJC-MBOCNQOASA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=C[C@@]([C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCC(=C)C(C)C)(C)[H])[H])C)[H])[H])(O)[H])C1)C)[H] |
| SPLASH | splash10-08i3-0709000000-d7109499bb0ae4e859fe |
| Source of Spectrum | X2-57-627-10 |
| Synonyms | (3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Wiley ID | 1605404 |