| SpectraBase Spectrum ID |
8NniwOY668u |
| Name |
(13S,16S,17S)-16-(7-bromoheptyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H37BrO2 |
| InChI |
InChI=1S/C25H37BrO2/c1-25-13-12-21-20-11-9-19(27)15-17(20)8-10-22(21)23(25)16-18(24(25)28)7-5-3-2-4-6-14-26/h9,11,15,18,21-24,27-28H,2-8,10,12-14,16H2,1H3/t18-,21?,22?,23?,24-,25-/m0/s1 |
| InChIKey |
WPWSOTGUFBPNDZ-GQZJTWFISA-N |
| Molecular Weight |
449.473 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4[C@@]([C@]([C@](C4)(CCCCCCCBr)[H])(O)[H])(CCC23)C)c1 |
| SPLASH |
splash10-0ika-0940800000-2b2842e156a88bb9770e |
| Source of Spectrum |
G2-3-521-34b |
| Synonyms |
7-[3',17'.beta.-Dihydroxy-1',3',5'(10')-estratrien-16'.beta.-yl]bromoheptane
7-[3,17.beta.-Dihydroxy-1,3,5(10)-estratrien-16.beta.-yl]bromoheptane |
| Wiley ID |
1661446 |
![(13S,16S,17S)-16-(7-bromoheptyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/8NniwOY668u/structure.png?h=300&w=458 "(13S,16S,17S)-16-(7-bromoheptyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
