| SpectraBase Spectrum ID |
E4Qggx0MnmW |
| Name |
3.beta.-(Propionic acid)-5.alpha.-cholestane methyl ester |
| Alternate Name(s) |
Methyl 3-[(3beta)-cholestan-3-yl]propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H54O2 |
| InChI |
InChI=1S/C31H54O2/c1-21(2)8-7-9-22(3)26-13-14-27-25-12-11-24-20-23(10-15-29(32)33-6)16-18-30(24,4)28(25)17-19-31(26,27)5/h21-28H,7-20H2,1-6H3/t22-,23+,24?,25?,26-,27?,28+,30+,31-/m1/s1 |
| InChIKey |
PGOTWDVYXBBEGX-CQXQICLYSA-N |
| Molecular Weight |
458.771 g/mol |
| SMILES |
[C@@]12(C(C3CCC4[C@@]([C@]3(CC2)[H])(CC[C@](CCC(=O)OC)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-0udr-0159400000-e2f899a569bef1afee7d |
| Source of Spectrum |
F-50-12641-18 |
| Wiley ID |
789979 |
