| SpectraBase Compound ID | 4u7abbqInTV |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1 |
| InChIKey | DYFQGNVJYMAFHT-XPZPHRGNSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11Nvx13MavQ |
|---|---|
| Name | COMBRETANONE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1 |
| InChIKey | DYFQGNVJYMAFHT-XPZPHRGNSA-N |
| Literature Reference Author | K.TOUME,T.NAKAZAWA,T.OHTSUKI,M.A.ARAI,T.KOYANO,T.KOWITHAYAKO RN,M.ISHIBASHI |
| Literature Reference Citation | J.NAT.PROD.,74,249(2011) |
| Literature Reference DOI | 10.1021/np100784t |
| Molecular Weight | 470.736 g/mol |
| Sample ID | 37495 |
| Solvent | CDCl3 |