| SpectraBase Spectrum ID |
9NYGBo2gdjV |
| Name |
Methyl 3-methoxy-5-oxo-5,6-secocholestan-6-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O4 |
| InChI |
InChI=1S/C29H50O4/c1-19(2)9-8-10-20(3)23-11-12-24-22(18-27(31)33-7)25(14-16-28(23,24)4)29(5)15-13-21(32-6)17-26(29)30/h19-25H,8-18H2,1-7H3/t20-,21?,22+,23-,24+,25+,28-,29-/m1/s1 |
| InChIKey |
NVHZEGZXYCCJEH-GVYYWOKYSA-N |
| Molecular Weight |
462.715 g/mol |
| SMILES |
[C@]12([C@]([C@@](CC(=O)OC)([H])[C@@]([C@@]3(C(CC(CC3)OC)=O)C)(CC1)[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-03ei-0004900000-de3871beaa2c562f9800 |
| Source of Spectrum |
KC-1992-1739-14 |
| Synonyms |
Methyl 3-metrhoxy-5-oxo-5,6-secocholest-3-en-6-oate
Methyl {(1R,3aS,4S,5S,7aR)-1-[(1R)-1,5-dimethylhexyl]-5-[(1R)-4-methoxy-1-methyl-2-oxocyclohexyl]-7a-methyloctahydro-1H-inden-4-yl}acetate |
| Wiley ID |
776428 |
