| SpectraBase Compound ID | JqvA2VBZtcR |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24?,25?,26-,27?,28+,29-/m1/s1 |
| InChIKey | MOIWXUZVOAWCDV-XZFAFVBISA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HseWKbG1kyQ |
|---|---|
| Name | (22E,24S)-7-ALPHA-HYDROPEROXYSTIGMASTA-5,22-DIEN-3BETA-OL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24?,25?,26-,27?,28+,29-/m1/s1 |
| InChIKey | MOIWXUZVOAWCDV-XZFAFVBISA-N |
| Literature Reference Author | W.LIN,Y.KUO,Y.CHANG,C.TENG,E.WANG,T.ISHIKAWA,I.CHEN |
| Literature Reference Citation | PLANTA.MED.,69,757(2003) |
| Literature Reference DOI | 10.1055/s-2003-42796 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP2002 |