| SpectraBase Spectrum ID |
59XB022V844 |
| Name |
(3S,8S,9S,10R,13R,14S,17R)-3-chloranyl-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Alternate Name(s) |
(3S,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
(3S,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47Cl |
| InChI |
InChI=1S/C29H47Cl/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
CWRKLTLDSODKIL-PHZDYDNGSA-N |
| Molecular Weight |
431.148 g/mol |
| SMILES |
[C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@](\C=C\[C@@](CC)(C(C)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(Cl)[H] |
| SPLASH |
splash10-001i-0000900000-e851aa4467b26129aa9b |
| Source of Spectrum |
KC-0-2355-4 |
| Wiley ID |
830886 |
![(3S,8S,9S,10R,13R,14S,17R)-3-chloranyl-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene](/api/spectrum/59XB022V844/structure.png?h=300&w=458 "(3S,8S,9S,10R,13R,14S,17R)-3-chloranyl-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene")
