| SpectraBase Spectrum ID |
3ulGNcO926v |
| Name |
(E)-4-((S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-16-yl)-but-2-enoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.214409442 u |
| Formula |
C24H30O4 |
| InChI |
InChI=1S/C24H30O4/c1-24-12-11-19-18-10-8-17(27-2)13-15(18)7-9-20(19)21(24)14-16(23(24)26)5-4-6-22(25)28-3/h4,6,8,10,13,16,19-21H,5,7,9,11-12,14H2,1-3H3/b6-4+/t16?,19?,20?,21?,24-/m0/s1 |
| InChIKey |
NFUYTQZPSZFTLT-WVRXJDCCSA-N |
| Molecular Weight |
382.500 g/mol |
| SMILES |
[C@@]12(C(C3CCC4=C(C3CC2)C=CC(OC)=C4)CC(C1=O)C\C=C\C(=O)OC)C |
![(E)-4-((S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)-but-2-enoic acid methyl ester](/api/spectrum/3ulGNcO926v/structure.png?h=300&w=458 "(E)-4-((S)-3-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)-but-2-enoic acid methyl ester")
