| SpectraBase Spectrum ID |
HEGttvicorq |
| Name |
(13S,16R,17S)-16-(6-bromohexyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol |
| 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(28-2)15-17(20)8-10-22(21)23(25)16-18(24(25)27)7-5-3-4-6-14-26/h9,11,15,18,21-24,27H,3-8,10,12-14,16H2,1-2H3/t18-,21?,22?,23?,24+,25+/m1/s1 |
| InChIKey |
AZFIWOUTGFNZBQ-LEBMVXLRSA-N |
| Molecular Weight |
449.473 g/mol |
| SMILES |
O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(OC)c4)C[C@]1(CCCCCCBr)[H])C)[H] |
| SPLASH |
splash10-0udj-0211900000-beb26fdbb23334e7ae59 |
| Source of Spectrum |
G2-3-520-31a |
| Synonyms |
6-[3'-methoxy-17'.beta.-hydroxy-1',3',5'-10')-estratrien-16'.alpha.-yl]bromohexane
6-[3-methoxy-17.beta.-hydroxy-1,3,5(10)-estratrien-16.alpha.-yl]bromohexane |
| Wiley ID |
1661453 |
![(13S,16R,17S)-16-(6-bromohexyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol](/api/spectrum/HEGttvicorq/structure.png?h=300&w=458 "(13S,16R,17S)-16-(6-bromohexyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol")
