| SpectraBase Compound ID | Ecym0c2J1SX |
|---|---|
| InChI | InChI=1S/C25H26F10O4/c1-20-9-7-13(38-18(36)22(26,27)24(31,32)25(33,34)35)11-12(20)3-4-14-15-5-6-17(39-19(37)23(28,29)30)21(15,2)10-8-16(14)20/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | BKTVXTUPOFNBMF-UHFFFAOYSA-N |
| Mol Weight | 580.46 g/mol |
| Molecular Formula | C25H26F10O4 |
| Exact Mass | 580.167141 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2n4HMo4W00 |
|---|---|
| Name | Androsta-3,5-diene-3,17-diol, 3-(heptafluorobutanoate) 17-(trifluoroacetate), (17.beta.)- |
| CAS Registry Number | 49842-29-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H26F10O4 |
| InChI | InChI=1S/C25H26F10O4/c1-20-9-7-13(38-18(36)22(26,27)24(31,32)25(33,34)35)11-12(20)3-4-14-15-5-6-17(39-19(37)23(28,29)30)21(15,2)10-8-16(14)20/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | BKTVXTUPOFNBMF-UHFFFAOYSA-N |
| Molecular Weight | 580.463 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(OC(C(F)(F)F)=O)CC4)CC=C2C=C(CC1)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| SPLASH | splash10-001i-4902030000-af7a64afeef2f7bde632 |
| Source of Spectrum | W5-37657-27879-27879 |
| Synonyms | 17-[(2,2,2-Trifluoroacetyl)oxy]androsta-3,5-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [10,13-dimethyl-17-(2,2,2-trifluoro-1-oxoethoxy)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(2,2,2-trifluoroacetyl)oxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptafluorobutanoate [10,13-dimethyl-17-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| Wiley ID | 1408468 |