| SpectraBase Spectrum ID |
Gw79Btss7o6 |
| Name |
A-Nor-2,3-secocholestan-2-oic acid., 3-oxo-, methyl ester, (5.beta.)- |
| Alternate Name(s) |
Methyl {(3R,3aR,5aS,6R,7S,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-formyl-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl}acetate
Methyl-3-oxo-a-nor-2,3-seco-5.alpha.-cholestan-2-oate |
| CAS Registry Number |
81355-81-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O3 |
| InChI |
InChI=1S/C27H46O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20(17-28)27(5,16-25(29)30-6)24(21)14-15-26(22,23)4/h17-24H,7-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,26-,27+/m1/s1 |
| InChIKey |
PGMZLOFBNZXYPJ-ORMLOLTMSA-N |
| Molecular Weight |
418.662 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]([C@@]([C@]3(CC2)[H])(CC(=O)OC)C)(C=O)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-014i-0009000000-0486d451b172254f89f7 |
| Source of Spectrum |
KC-1986-1525-5 |
| Wiley ID |
1377461 |
