| SpectraBase Spectrum ID |
HeD6U0brqF7 |
| Name |
beta-Sitosterol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O |
| InChI |
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
KZJWDPNRJALLNS-VJSFXXLFSA-N |
| Molecular Weight |
414.718 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CC[C@](C(C)C)(CC)[H])[H])[H])[H])C)[H])[H])C)[H] |
| SPLASH |
splash10-03di-0058900000-f6e2645dc0e910987135 |
| Source of Spectrum |
PA-21-236-Table1,Compound18 |
| Synonyms |
(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
1787639 |
