| SpectraBase Spectrum ID |
QwClMVZ7MW |
| Name |
(13S,16R,17S)-16-(7-bromoheptyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol |
| Alternate Name(s) |
7-[3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'.alpha.-yl]bromoheptane
7-[3-methoxy-17.beta.-hydroxy-1,3,5(10)-estratrien-16.alpha.yl]bromoheptane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H39BrO2 |
| InChI |
InChI=1S/C26H39BrO2/c1-26-14-13-22-21-12-10-20(29-2)16-18(21)9-11-23(22)24(26)17-19(25(26)28)8-6-4-3-5-7-15-27/h10,12,16,19,22-25,28H,3-9,11,13-15,17H2,1-2H3/t19-,22?,23?,24?,25+,26+/m1/s1 |
| InChIKey |
XJXXHHKQVDTIJG-FQCFBJSOSA-N |
| Molecular Weight |
463.500 g/mol |
| SMILES |
O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(OC)c4)C[C@]1(CCCCCCCBr)[H])C)[H] |
| SPLASH |
splash10-03di-0510900000-8f96e8b4b620477f6966 |
| Source of Spectrum |
G2-3-520-32a |
| Wiley ID |
1661451 |
![(13S,16R,17S)-16-(7-bromoheptyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol](/api/spectrum/QwClMVZ7MW/structure.png?h=300&w=458 "(13S,16R,17S)-16-(7-bromoheptyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol")
