| SpectraBase Compound ID | LOk1xBx699r |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-14(26)23-7-8-24-22-13-19(30-16(3)28)12-17-11-18(29-15(2)27)5-6-20(17)21(22)9-10-25(23,24)4/h18-19,21-24H,5-13H2,1-4H3/t18-,19-,21+,22+,23+,24-,25+/m0/s1 |
| InChIKey | GYDGZSVXKHKWIA-KKLCFNQLSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JjPyQ6K4wo5 |
|---|---|
| Name | 3a-Acetoxy-B-homo-6as-acetoxy-pregna-5(10)-en-20-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-14(26)23-7-8-24-22-13-19(30-16(3)28)12-17-11-18(29-15(2)27)5-6-20(17)21(22)9-10-25(23,24)4/h18-19,21-24H,5-13H2,1-4H3/t18-,19-,21+,22+,23+,24-,25+/m0/s1 |
| InChIKey | GYDGZSVXKHKWIA-KKLCFNQLSA-N |
| Literature Reference DOI | 10.1021/ol301532w |
| Molecular Weight | 416.558 g/mol |
| SMILES | C1[C@@](CC=2C[C@@](C[C@@]3([C@]([H])(CC[C@@]4([C@](CC[C@@]34[H])(C(C)=O)[H])C)C2C1)[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-052g-5890000000-d8b3ec186f9d31f35854 |
| Source of Spectrum | A1-14-3692/SM8-6g |
| Synonyms | (1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-12a-methyl-1,2,3,3a,3b,4,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrobenzo[3,4]cyclohepta[1,2-e]indene-5,8-diyl diacetate |
| Wiley ID | 1750348 |