| SpectraBase Spectrum ID |
DohfU1mcXR3 |
| Name |
(1S,4aS,4bR,7E,10aR)-1,4a-dimethyl-4b-oxidanyl-7-(1-oxidanylidenepropan-2-ylidene)-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-13(12-21)14-7-10-20(24)15(11-14)5-6-16-18(2,17(22)23)8-4-9-19(16,20)3/h11-12,16,24H,4-10H2,1-3H3,(H,22,23)/b14-13+/t16-,18-,19-,20+/m0/s1 |
| InChIKey |
DTLNNBJPRNNBTE-YWUSLYSRSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
OC([C@@]1([C@]2([C@@]([C@@]3(C(CC2)=C\C(CC3)=C\(C=O)C)O)(CCC1)C)[H])C)=O |
| SPLASH |
splash10-03ki-0930000000-20b6cc759d59127d0e1b |
| Source of Spectrum |
G4-61-911-12 |
| Synonyms |
(1S,4aS,4bR,7E,10aR)-4b-hydroxy-1,4a-dimethyl-7-(1-methyl-2-oxo-ethylidene)-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
(1S,4aS,4bR,7E,10aR)-4b-hydroxy-1,4a-dimethyl-7-(1-oxopropan-2-ylidene)-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
(1S,4aS,4bR,7E,10aR)-4b-hydroxy-7-(2-keto-1-methyl-ethylidene)-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
| Wiley ID |
1607333 |
