| SpectraBase Compound ID | 5G4V6OTDR28 |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-15-17-30(8)24-13-11-22-23(12-14-25(31)27(22,4)5)28(24,6)18-19-29(21,30)7/h9,11,13,16,20-21,24-25,31-32H,10,12,14-15,17-19H2,1-8H3/b16-9+/t20-,21-,24-,25+,28+,29-,30+/m1/s1 |
| InChIKey | MNIOCWIESUAIEQ-HVVQIFGZSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9aV91AOHOU |
|---|---|
| Name | CUCURBITA-5-(10),6,23-(E)-TRIENE-3-BETA,25-DIOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-15-17-30(8)24-13-11-22-23(12-14-25(31)27(22,4)5)28(24,6)18-19-29(21,30)7/h9,11,13,16,20-21,24-25,31-32H,10,12,14-15,17-19H2,1-8H3/b16-9+/t20-,21-,24-,25+,28+,29-,30+/m1/s1 |
| InChIKey | MNIOCWIESUAIEQ-HVVQIFGZSA-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 | 440.710 g/mol |
| Sample ID | 28418 |
| Solvent | CDCl3 |