| SpectraBase Spectrum ID |
4i5Kq1hVWMr |
| Name |
(13S,16R,17S)-16-(6-bromohexyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H35BrO2 |
| InChI |
InChI=1S/C24H35BrO2/c1-24-12-11-20-19-10-8-18(26)14-16(19)7-9-21(20)22(24)15-17(23(24)27)6-4-2-3-5-13-25/h8,10,14,17,20-23,26-27H,2-7,9,11-13,15H2,1H3/t17-,20?,21?,22?,23+,24+/m1/s1 |
| InChIKey |
KFUHCYNYCHXBIV-PUWDQHFASA-N |
| Molecular Weight |
435.446 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4[C@@]([C@]([C@@](C4)(CCCCCCBr)[H])(O)[H])(CCC23)C)c1 |
| SPLASH |
splash10-01q0-0222900000-41a6b417ab42c90afedc |
| Source of Spectrum |
G2-3-520-33a |
| Synonyms |
6-[3',17'.beta.-Dihydroxy-1',3',5'(10')-estratrien-16'.alpha.-yl]bromohexane
6-[3,17.beta.-dihydroxy-1,3,5(10)-estratrien-16.alpha.-yl]bromohexane |
| Wiley ID |
1661449 |
![(13S,16R,17S)-16-(6-bromohexyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/4i5Kq1hVWMr/structure.png?h=300&w=458 "(13S,16R,17S)-16-(6-bromohexyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
