| SpectraBase Spectrum ID |
2V3jj4ALqfn |
| Name |
(13S,16S,17S)-16-(5-bromopentyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Alternate Name(s) |
5-[3',17'.beta.-Dihydroxy-1',3',5'(10')-estratrien-16'-.beta.-yl]bromopentane
5-[3,17.beta.-Dihydroxy-1,3,5(10)-estratrien-16-.beta.-yl]bromopentane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H33BrO2 |
| InChI |
InChI=1S/C23H33BrO2/c1-23-11-10-19-18-9-7-17(25)13-15(18)6-8-20(19)21(23)14-16(22(23)26)5-3-2-4-12-24/h7,9,13,16,19-22,25-26H,2-6,8,10-12,14H2,1H3/t16-,19?,20?,21?,22-,23-/m0/s1 |
| InChIKey |
SYNBMJHNZOUOKG-NZGLSLAHSA-N |
| Molecular Weight |
421.419 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4[C@@]([C@]([C@](C4)(CCCCCBr)[H])(O)[H])(CCC23)C)c1 |
| SPLASH |
splash10-00di-0040900000-01de214f862c65ef4ce4 |
| Source of Spectrum |
G2-3-519-24 |
| Wiley ID |
1661456 |
![(13S,16S,17S)-16-(5-bromopentyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/2V3jj4ALqfn/structure.png?h=300&w=458 "(13S,16S,17S)-16-(5-bromopentyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
