| SpectraBase Compound ID | E0Eph4Qc2Ku |
|---|---|
| InChI | InChI=1S/C31H48O2/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/h8-10,12,20-21,24-25,27-29H,11,13-19H2,1-7H3/b10-9+,23-8+/t21-,24+,25+,27?,28?,29?,30+,31-/m1/s1 |
| InChIKey | CSMKMAITTHWFDI-OGKQRBFQSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C31H48O2 |
| Exact Mass | 452.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9ekhgjYuBdB |
|---|---|
| Name | (22E,24Z)-5.alpha.-stigmasta-7,22,24(24')-trien-3.beta.-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O2 |
| InChI | InChI=1S/C31H48O2/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/h8-10,12,20-21,24-25,27-29H,11,13-19H2,1-7H3/b10-9+,23-8+/t21-,24+,25+,27?,28?,29?,30+,31-/m1/s1 |
| InChIKey | CSMKMAITTHWFDI-OGKQRBFQSA-N |
| Molecular Weight | 452.723 g/mol |
| SMILES | C=12C3[C@](C([C@@](\C=C\C(=C/C)C(C)C)(C)[H])CC3)(C)CCC2[C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C |
| SPLASH | splash10-03di-0019000000-18721df6e03486b54ce0 |
| Source of Spectrum | E1-44-1206-5 |
| Wiley ID | 1553507 |