| SpectraBase Spectrum ID |
L05GvHs3Fqr |
| Name |
(2-Benzoyl-7-hydroxy-2,4B-dimethyl-1,2,3,4,4A,4B,5,6,7,8,10,10A-dodecahydrophenanthren-1-yl)acetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.230059506 u |
| Formula |
C25H32O4 |
| InChI |
InChI=1S/C25H32O4/c1-24-12-10-18(26)14-17(24)8-9-19-20(24)11-13-25(2,21(19)15-22(27)28)23(29)16-6-4-3-5-7-16/h3-8,18-21,26H,9-15H2,1-2H3,(H,27,28) |
| InChIKey |
JVCSQDLHVZXYSS-UHFFFAOYSA-N |
| Molecular Weight |
396.527 g/mol |
| SMILES |
C1(O)CC2=CCC3C(CC(=O)O)C(C)(C(C4=CC=CC=C4)=O)CCC3C2(C)CC1 |
