| SpectraBase Spectrum ID |
9KBXK6ZpZr8 |
| Name |
3.alpha.-(Propionic acid)-5.alpha.-cholestane methyl ester |
| Alternate Name(s) |
Methyl 3-[(3alpha,5alpha)-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-QLUBRXMISA-N |
| Molecular Weight |
458.771 g/mol |
| SMILES |
[C@@]12(C(C3CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](CCC(=O)OC)(C4)[H])C)[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-0udi-0249500000-ef3fd8cd852491963c9d |
| Source of Spectrum |
F-50-12641-18 |
| Wiley ID |
789978 |
