| SpectraBase Spectrum ID |
1tjCCH9I5rA |
| Name |
Methyl 3,7-dioxo-6,7-seco-7-phenylcholest-4-en-6-oate |
| Alternate Name(s) |
(R)-6-[(1R,4S,7aR)-4-Benzoyl-1-(1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-5-yl]-6-methyl-3-oxo-cyclohex-1-enecarboxylic acid methyl ester
Methyl (6R)-6-{(1R,3aS,7aR)-4-benzoyl-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-5-yl}-6-methyl-3-oxo-1-cyclohexene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H48O4 |
| InChI |
InChI=1S/C34H48O4/c1-22(2)11-10-12-23(3)26-15-16-27-30(31(36)24-13-8-7-9-14-24)28(18-20-33(26,27)4)34(5)19-17-25(35)21-29(34)32(37)38-6/h7-9,13-14,21-23,26-28,30H,10-12,15-20H2,1-6H3/t23?,26-,27?,28?,30+,33-,34-/m1/s1 |
| InChIKey |
SHYYCBCFUHNOPG-FIHKDFLQSA-N |
| Molecular Weight |
520.754 g/mol |
| SMILES |
[C@@]1(C(=CC(CC1)=O)C(=O)OC)(C1[C@](C2CC[C@@]([C@]2(CC1)C)(C(CCCC(C)C)C)[H])(C(=O)c1ccccc1)[H])C |
| SPLASH |
splash10-0a4i-0902000000-e887b0f36bfafb745fff |
| Source of Spectrum |
AH-127-1288-6 |
| Wiley ID |
1402065 |
