| SpectraBase Compound ID | EgtuTwnXnyh |
|---|---|
| InChI | InChI=1S/C25H29F7O4/c1-13(33)35-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(22(17,3)11-9-18(16)21)36-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3 |
| InChIKey | JBHAHARCAJQDFI-UHFFFAOYSA-N |
| Mol Weight | 526.49 g/mol |
| Molecular Formula | C25H29F7O4 |
| Exact Mass | 526.195407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GPctgzGudS4 |
|---|---|
| Name | Androsta-3,5-diene-3,17-diol, 3-acetate 17-(heptafluorobutanoate), (17.beta.)- |
| Alternate Name(s) | 3-(Acetyloxy)androsta-3,5-dien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate (3-acetoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 2,2,3,3,4,4,4-heptafluorobutanoate (3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 2,2,3,3,4,4,4-heptafluorobutanoate (3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid (3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester 2,2,3,3,4,4,4-heptafluorobutyric acid (3-acetoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester |
| CAS Registry Number | 49768-58-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H29F7O4 |
| InChI | InChI=1S/C25H29F7O4/c1-13(33)35-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(22(17,3)11-9-18(16)21)36-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3 |
| InChIKey | JBHAHARCAJQDFI-UHFFFAOYSA-N |
| Molecular Weight | 526.492 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC4)CC=C2C=C(CC1)OC(C)=O |
| SPLASH | splash10-001i-4900700000-c95b1b5b860d2c46438b |
| Source of Spectrum | W5-37058-28478-28478 |
| Wiley ID | 1402781 |