| SpectraBase Compound ID | CI3J42NkCoR |
|---|---|
| InChI | InChI=1S/C32H54O3/c1-21(12-11-16-28(2,3)35-10)22-15-17-32(8)27-25(34-9)20-24-23(13-14-26(33)29(24,4)5)30(27,6)18-19-31(22,32)7/h11,16,20-23,25-27,33H,12-15,17-19H2,1-10H3/b16-11+/t21-,22-,23-,25+,26+,27-,30+,31-,32+/m1/s1 |
| InChIKey | OJXKMMLNVLFMJM-QTACYZFBSA-N |
| Mol Weight | 486.8 g/mol |
| Molecular Formula | C32H54O3 |
| Exact Mass | 486.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CTIgk4kGxH |
|---|---|
| Name | 3-BETA-HYDROXY-7-BETA,25-DIMETHOXYCUCURBITA-5,23-(E)-DIENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54O3 |
| InChI | InChI=1S/C32H54O3/c1-21(12-11-16-28(2,3)35-10)22-15-17-32(8)27-25(34-9)20-24-23(13-14-26(33)29(24,4)5)30(27,6)18-19-31(22,32)7/h11,16,20-23,25-27,33H,12-15,17-19H2,1-10H3/b16-11+/t21-,22-,23-,25+,26+,27-,30+,31-,32+/m1/s1 |
| InChIKey | OJXKMMLNVLFMJM-QTACYZFBSA-N |
| Literature Reference Author | C.I.CHANG,C.R.CHEN,Y.W.LIAO,H.L.CHENG,Y.C.CHEN,C.H.CHOU |
| Literature Reference Citation | J.NAT.PROD.,71,1327(2008) |
| Literature Reference DOI | 10.1021/np070532u |
| Molecular Weight | 486.779 g/mol |
| Sample ID | 28417 |
| Solvent | CDCl3 |