![3.beta.-Acetoxyholarrhenostere [5.alpha.-3-.beta.-acetoxystigmasta-9(11),20(21)-diene]](/api/spectrum/Jikw7qa3DIR/structure.png?h=300&w=458 "3.beta.-Acetoxyholarrhenostere [5.alpha.-3-.beta.-acetoxystigmasta-9(11),20(21)-diene]")
| SpectraBase Compound ID | 3LI7LiU0FHj |
|---|---|
| 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/h16,20,23-28H,4,8-15,17-19H2,1-3,5-7H3/t23-,24+,25+,26+,27-,28+,30+,31-/m1/s1 |
| InChIKey | WIIQCVTVACXKOF-JZSUTNAKSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jikw7qa3DIR |
|---|---|
| Name | 3.beta.-Acetoxyholarrhenostere [5.alpha.-3-.beta.-acetoxystigmasta-9(11),20(21)-diene] |
| 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/h16,20,23-28H,4,8-15,17-19H2,1-3,5-7H3/t23-,24+,25+,26+,27-,28+,30+,31-/m1/s1 |
| InChIKey | WIIQCVTVACXKOF-JZSUTNAKSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | C=12[C@@]3([C@@](C[C@@](OC(=O)C)(CC3)[H])([H])CC[C@]2([C@@]2(CC[C@@]([C@]2(CC1)C)(C(CC[C@](C(C)C)(CC)[H])=C)[H])[H])[H])C |
| SPLASH | splash10-0a4i-9120100000-f788d4072e4905a3d2b6 |
| Source of Spectrum | Y1-40-1284-2 |
| Wiley ID | 1564891 |