| SpectraBase Spectrum ID |
2YlF30BecXf |
| Name |
(13S,16R,17S)-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+/m1/s1 |
| InChIKey |
VXGOSZRLWXZIEC-GSWRRHGISA-N |
| Molecular Weight |
407.392 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4[C@@]([C@]([C@@](C4)(CCCCBr)[H])(O)[H])(CCC23)C)c1 |
| SPLASH |
splash10-0a4i-0020900000-19d8940d1e9a21abe691 |
| Source of Spectrum |
G2-3-517-17a |
| Synonyms |
4-[3',17'.beta.-Dihydroxy-1',3',5'-(10')-estratrien-16'-.alpha.-yl]bromobutane
4-[3,17.beta.-dihydroxy-1,3,5-(10)-estratrien-16-.alpha.-yl]bromobutane |
| Wiley ID |
1661465 |
![(13S,16R,17S)-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/2YlF30BecXf/structure.png?h=300&w=458 "(13S,16R,17S)-16-(4-bromobutyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
