| SpectraBase Compound ID | 25GefL7G5ys |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(2)21(14-17-32-31)7-6-20(3)25-10-11-26-24-9-8-22-18-23(30)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,14,19-20,23-27,30-31H,6-7,9-13,15-18H2,1-5H3/b21-14+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1 |
| InChIKey | QQFQTVKOYPPUOZ-FLTUQRAGSA-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 | GKYjvC2DyHb |
|---|---|
| Name | 29-HYDROPEROXY-STIGMASTA-5,24(28)-DIEN-3-BETA-OL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(2)21(14-17-32-31)7-6-20(3)25-10-11-26-24-9-8-22-18-23(30)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,14,19-20,23-27,30-31H,6-7,9-13,15-18H2,1-5H3/b21-14+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1 |
| InChIKey | QQFQTVKOYPPUOZ-FLTUQRAGSA-N |
| Literature Reference Author | J.-H.SHEUG.-H.WANG,P.-J.SUNG,Y.-H.CHIU,C.-Y.DUH |
| Literature Reference Citation | PLANTA.MED.,63,571(1997) |
| Literature Reference DOI | 10.1055/s-2006-957772 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1051 |