| SpectraBase Compound ID | KAaPCEkAXiY |
|---|---|
| InChI | InChI=1S/C25H33F3O5/c1-13(29)21-6-7-22-20-12-17(33-23(31)25(26,27)28)11-15-10-16(32-14(2)30)4-5-18(15)19(20)8-9-24(21,22)3/h16-17,19-22H,4-12H2,1-3H3/t16-,17-,19+,20+,21+,22-,24+/m0/s1 |
| InChIKey | NBKZPRKCLCHDFM-HDXBUZHQSA-N |
| Mol Weight | 470.5 g/mol |
| Molecular Formula | C25H33F3O5 |
| Exact Mass | 470.228009 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ANwCpsLbDQU |
|---|---|
| Name | 3a-Acetoxy-B-homo-6as-trifluoroacetoxy-pregna-5(10)-en-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H33F3O5 |
| InChI | InChI=1S/C25H33F3O5/c1-13(29)21-6-7-22-20-12-17(33-23(31)25(26,27)28)11-15-10-16(32-14(2)30)4-5-18(15)19(20)8-9-24(21,22)3/h16-17,19-22H,4-12H2,1-3H3/t16-,17-,19+,20+,21+,22-,24+/m0/s1 |
| InChIKey | NBKZPRKCLCHDFM-HDXBUZHQSA-N |
| Literature Reference DOI | 10.1021/ol301532w |
| Molecular Weight | 470.529 g/mol |
| SMILES | C1[C@](OC(=O)C)(CC2=C(C1)[C@@]1([C@](C[C@@](OC(=O)C(F)(F)F)(C2)[H])([H])[C@@]2(CC[C@@]([C@@]2(C)CC1)(C(C)=O)[H])[H])[H])[H] |
| SPLASH | splash10-0imm-7971300000-644a9892c6a1812b471e |
| Source of Spectrum | A1-14-3692/SM8-6h |
| Synonyms | (1S,3aS,3bS,5R,8S,10bS,12aS)-8-acetoxy-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]inden-5-yl 2,2,2-trifluoroacetate |
| Wiley ID | 1750349 |