| SpectraBase Spectrum ID |
4b4yUmAaIa |
| Name |
(13S,16S)-16-(4-bromobutyl)-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 |
C22H31BrO2 |
| InChI |
InChI=1S/C22H31BrO2/c1-22-10-9-18-17-8-6-16(24)12-14(17)5-7-19(18)20(22)13-15(21(22)25)4-2-3-11-23/h6,8,12,15,18-21,24-25H,2-5,7,9-11,13H2,1H3/t15-,18?,19?,20?,21?,22-/m0/s1 |
| InChIKey |
VXGOSZRLWXZIEC-JXSQKLIBSA-N |
| Molecular Weight |
407.392 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4[C@@](C([C@](C4)(CCCCBr)[H])O)(CCC23)C)c1 |
| SPLASH |
splash10-0bt9-0321900000-86b8388556a047241847 |
| Source of Spectrum |
G2-3-518-17b |
| Synonyms |
4-[3',17'-Dihydroxy-1',3',5'(10')-estratrien-16'-.beta.yl]bromobutane[2]4-[3,17-dihydroxy-1,3,5(10)-estratrien-16-.beta.yl]bromobutane |
| Wiley ID |
1661461 |
![(13S,16S)-16-(4-bromobutyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/4b4yUmAaIa/structure.png?h=300&w=458 "(13S,16S)-16-(4-bromobutyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
