| SpectraBase Spectrum ID |
7d1Mjo73mpl |
| Name |
De-A,B-9-.alpha.-(Benzoyloxy)choleatan-8-one |
| Alternate Name(s) |
(1R,3aR,5R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-4-oxooctahydro-1H-inden-5-yl benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O3 |
| InChI |
InChI=1S/C25H36O3/c1-17(2)9-8-10-18(3)20-13-14-21-23(26)22(15-16-25(20,21)4)28-24(27)19-11-6-5-7-12-19/h5-7,11-12,17-18,20-22H,8-10,13-16H2,1-4H3/t18-,20-,21+,22-,25-/m1/s1 |
| InChIKey |
FPSGDRCEWJQBFB-ZOINAQCCSA-N |
| Molecular Weight |
384.560 g/mol |
| SMILES |
[C@@]12([C@](C(=O)[C@@](CC2)(OC(=O)c2ccccc2)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0a4i-7930000000-5d6c62006a3747ef0681 |
| Source of Spectrum |
J-56-3586-11 |
| Wiley ID |
1361866 |
