| SpectraBase Spectrum ID |
3RKW99SgyUm |
| Name |
5alpha-Sitosterin-7,22-dien-3beta-ol acetate |
| Alternate Name(s) |
(3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O2 |
| InChI |
InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,12,20-21,23-25,27-29H,8,11,13-19H2,1-7H3/b10-9+/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey |
VQLULFBGTFJDEB-LSEHKVPYSA-N |
| Molecular Weight |
454.739 g/mol |
| SMILES |
C1C[C@]2([C@](C[C@]1(OC(C)=O)[H])(CC=C1[C@@]2(CC[C@]2([C@@]1([H])CC[C@@]2([C@](C)(\C=C\[C@](C(C)C)(CC)[H])[H])[H])C)[H])[H])C |
| SPLASH |
splash10-0bu0-7056900000-0695e681b5a0a8c81691 |
| Source of Spectrum |
APC-314-24-6 |
| Wiley ID |
1787874 |
