| SpectraBase Spectrum ID |
8rjZNbcjfbp |
| Name |
2,3-Secocholestane-2-carboxylic acid, 4-methyl-, methyl ester, (5.beta.)- |
| CAS Registry Number |
73311-15-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H54O2 |
| InChI |
InChI=1S/C30H54O2/c1-20(2)10-9-11-22(5)25-14-15-26-23-12-13-24(21(3)4)29(6,19-17-28(31)32-8)27(23)16-18-30(25,26)7/h20-27H,9-19H2,1-8H3/t22-,23+,24+,25-,26+,27+,29+,30-/m1/s1 |
| InChIKey |
SVBFFQGIHUSCNR-ZJKJMQNJSA-N |
| Molecular Weight |
446.760 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CCC(=O)OC)C)(C(C)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0a4i-8009100000-59042a3b61bbc815d873 |
| Source of Spectrum |
KC-1979-2923-0 |
| Synonyms |
Methyl 3-{(3R,3aR,5aS,6S,7S,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-isopropyl-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl}propanoate
Methyl 4-methyl-2,3-seco-5.alpha.-cholestane-2-carboxylate |
| Wiley ID |
1386846 |
