| SpectraBase Compound ID | 7KrgJmDoj4n |
|---|---|
| InChI | InChI=1S/C27H44O8/c1-23(2,33)9-8-20(30)26(5,34)19-7-11-27(35)15-12-17(28)16-13-18(29)21(31)22(32)25(16,4)14(15)6-10-24(19,27)3/h12,14,16,18-22,29-35H,6-11,13H2,1-5H3/t14-,16-,18+,19-,20+,21+,22+,24+,25+,26+,27+/m0/s1 |
| InChIKey | VJRBXZFHKYDEQV-KPHYXMJDSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C27H44O8 |
| Exact Mass | 496.303618 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZ1NiRZgxah |
|---|---|
| Name | Integristerone A |
| Alternate Name(s) | (1S,2R,3R,5R,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (1S,2R,3R,5R,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (1S,2R,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-1,2,3,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O8 |
| InChI | InChI=1S/C27H44O8/c1-23(2,33)9-8-20(30)26(5,34)19-7-11-27(35)15-12-17(28)16-13-18(29)21(31)22(32)25(16,4)14(15)6-10-24(19,27)3/h12,14,16,18-22,29-35H,6-11,13H2,1-5H3/t14-,16-,18+,19-,20+,21+,22+,24+,25+,26+,27+/m0/s1 |
| InChIKey | VJRBXZFHKYDEQV-KPHYXMJDSA-N |
| Molecular Weight | 496.641 g/mol |
| SMILES | OC(CC[C@]([C@@]([C@]1(CC[C@]2(C=3[C@@]([C@]4([C@@]([C@@]([C@@](C[C@]4(C(C3)=O)[H])(O)[H])(O)[H])(O)[H])C)(CC[C@]12C)[H])O)[H])(O)C)(O)[H])(C)C |
| SPLASH | splash10-0296-2009400000-4d09960b58719d2db320 |
| Source of Spectrum | X4-13-689-0 |
| Wiley ID | 1585185 |