| SpectraBase Spectrum ID |
FFrXaG8EjUR |
| Name |
Stigmastane-3,5-diol, 3-acetate, (3.beta.,5.alpha.)- |
| Alternate Name(s) |
(3beta,5alpha)-5-hydroxystigmastan-3-yl acetate
5.alpha.-stigmastane-3.beta.,5-diol 3-acteate |
| CAS Registry Number |
87899-27-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H54O3 |
| InChI |
InChI=1S/C31H54O3/c1-8-23(20(2)3)10-9-21(4)26-11-12-27-25-14-18-31(33)19-24(34-22(5)32)13-17-30(31,7)28(25)15-16-29(26,27)6/h20-21,23-28,33H,8-19H2,1-7H3/t21-,23-,24+,25+,26-,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey |
JSYUAPFQJGGKDI-GAISZKJUSA-N |
| Molecular Weight |
474.770 g/mol |
| SMILES |
O[C@@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])(CC[C@](OC(=O)C)(C1)[H])C |
| SPLASH |
splash10-0002-0009000000-8030ee3913733f1aea9a |
| Source of Spectrum |
F-41-4514-18 |
| Wiley ID |
1394032 |
