| SpectraBase Spectrum ID |
I3HYWVe0buA |
| Name |
(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Alternate Name(s) |
(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloroethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chlorovinyl]-13-methyl-11-vinyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27ClO2 |
| InChI |
InChI=1S/C22H27ClO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h3,5,7,10-12,14,18-20,24-25H,1,4,6,8-9,13H2,2H3/b11-10+/t14-,18-,19-,20+,21-,22+/m0/s1 |
| InChIKey |
SSQWPMLTYOGGLM-XUOOYTPCSA-N |
| Molecular Weight |
358.909 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(\C=C\Cl)O)(C[C@@]([C@]23[H])(C=C)[H])C)[H])[H])c1 |
| SPLASH |
splash10-0006-0009000000-8aafda0808ea6521a5e1 |
| Source of Spectrum |
F2-41-4691-4 |
| Wiley ID |
1599897 |
![(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/I3HYWVe0buA/structure.png?h=300&w=458 "(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
