| SpectraBase Spectrum ID |
29QBLPjM7Xe |
| Name |
(5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| Alternate Name(s) |
(5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-5-oxidanyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
(5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O2 |
| InChI |
InChI=1S/C29H46O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h8-9,13,17,19-21,23-26,31H,7,10-12,14-16,18H2,1-6H3/b9-8+/t20-,21-,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey |
QRFLVLDSWBBSEL-JPVZOQGDSA-N |
| Molecular Weight |
426.685 g/mol |
| SMILES |
O[C@@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C=C2)[H])(CC[C@@]4([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])(CCC(=O)C1)C |
| SPLASH |
splash10-0a4i-0000900000-457927a566d1c8070947 |
| Source of Spectrum |
KC-0-2356-5 |
| Wiley ID |
830879 |
![(5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one](/api/spectrum/29QBLPjM7Xe/structure.png?h=300&w=458 "(5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one")
