| SpectraBase Compound ID | 3DAaz2zu7xo |
|---|---|
| InChI | InChI=1S/C26H26F12O4/c1-20-9-7-13(41-19(40)23(29,30)25(33,34)35)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)42-18(39)22(27,28)24(31,32)26(36,37)38/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | QPYNUPPAPJKZDH-UHFFFAOYSA-N |
| Mol Weight | 630.47 g/mol |
| Molecular Formula | C26H26F12O4 |
| Exact Mass | 630.163947 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IQGImS9I44o |
|---|---|
| Name | Androsta-3,5-diene-3,17-diol, 17-(heptafluorobutanoate) 3-(pentafluoropropanoate), (17.beta.)- |
| CAS Registry Number | 49842-28-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H26F12O4 |
| InChI | InChI=1S/C26H26F12O4/c1-20-9-7-13(41-19(40)23(29,30)25(33,34)35)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)42-18(39)22(27,28)24(31,32)26(36,37)38/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | QPYNUPPAPJKZDH-UHFFFAOYSA-N |
| Molecular Weight | 630.471 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(C(F)(F)F)(F)F)=O |
| SPLASH | splash10-001l-5910002000-08d1c0a1e4e97a35b7c6 |
| Source of Spectrum | W5-38030-27506-27506 |
| Synonyms | 3-[(2,2,3,3,3-Pentafluoropropanoyl)oxy]androsta-3,5-dien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [10,13-dimethyl-3-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester [10,13-dimethyl-3-(2,2,3,3,3-pentafluoropropanoyloxy)-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 [10,13-dimethyl-3-[2,2,3,3,3-pentakis(fluoranyl)propanoyloxy]-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 |
| Wiley ID | 1412078 |