| SpectraBase Compound ID | 1xW5TJuixmn |
|---|---|
| InChI | InChI=1S/2C30H48O2/c2*1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h2*20-24,31H,1,8-18H2,2-7H3/t20?,21-,22+,23+,24+,27-,28+,29-,30+;20?,21-,22-,23+,24+,27-,28+,29-,30+/m11/s1 |
| InChIKey | PJATXJSHHBNAQD-KRRGLYIHSA-N |
| Mol Weight | 881.4 g/mol |
| Molecular Formula | C60H96O4 |
| Exact Mass | 880.730862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gof6U8f65QD |
|---|---|
| Name | 24-HYDROXYCYClOART-25-EN-3-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H96O4 |
| InChI | InChI=1S/2C30H48O2/c2*1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h2*20-24,31H,1,8-18H2,2-7H3/t20?,21-,22+,23+,24+,27-,28+,29-,30+;20?,21-,22-,23+,24+,27-,28+,29-,30+/m11/s1 |
| InChIKey | PJATXJSHHBNAQD-KRRGLYIHSA-N |
| Literature Reference Author | G.M.CABRERA,M.GALLO,A.M.SELDES |
| Literature Reference Citation | J.NAT.PROD.,59,343(1996) |
| Literature Reference DOI | 10.1021/np960075+ |
| Molecular Weight | 881.420 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15292 |