| SpectraBase Spectrum ID |
4PknR4Qgro |
| Name |
(13S,16S,17S)-16-(4-bromobutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H33BrO2 |
| InChI |
InChI=1S/C23H33BrO2/c1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)21(23)14-16(22(23)25)5-3-4-12-24/h7,9,13,16,19-22,25H,3-6,8,10-12,14H2,1-2H3/t16-,19?,20?,21?,22-,23-/m0/s1 |
| InChIKey |
NLORBPCYHHJLJP-NZGLSLAHSA-N |
| Molecular Weight |
421.419 g/mol |
| SMILES |
O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(OC)c4)C[C@@]1(CCCCBr)[H])C)[H] |
| SPLASH |
splash10-00di-0212900000-c5f300afbaec34a791e7 |
| Source of Spectrum |
G2-3-517-16b |
| Synonyms |
4-[3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'-.beta.yl]bromobutane
4-[3-methoxy-17.beta.-hydroxy-1,3,5(10)-estratrien-16-.beta.yl]bromobutane |
| Wiley ID |
1661462 |
![(13S,16S,17S)-16-(4-bromobutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol](/api/spectrum/4PknR4Qgro/structure.png?h=300&w=458 "(13S,16S,17S)-16-(4-bromobutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol")
