| SpectraBase Spectrum ID |
I1CExLj6UvH |
| Name |
(1R,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid |
| CAS Registry Number |
95416-25-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1 |
| InChIKey |
MXPXAZNVQUWDFH-NSISKUIASA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
OC(c1ccc2[C@@]3([C@]([C@](C(=O)O)(CCC3)C)(CC(c2c1)=O)[H])C)(C)C |
| SPLASH |
splash10-014i-0009000000-1f3d186b88eecf452d7c |
| Source of Spectrum |
I-65-12-10 |
| Synonyms |
(1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
(1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid |
| Wiley ID |
1328070 |
