| SpectraBase Compound ID | 9A8yIBUJZgT |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-16-29(7)23-15-17-31-24(12-13-25(32)27(31,4)5)30(23,26(33-8)34-31)19-18-28(22,29)6/h9-10,15,17,21-26,32H,1,11-14,16,18-19H2,2-8H3/b10-9+/t21-,22-,23+,24+,25+,26?,28-,29+,30+,31-/m1/s1 |
| InChIKey | WCMMZXFPTXDTOT-MQENPAHKSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJFNw8BscFJ |
|---|---|
| Name | (23E)-5-BETA,19-EPOXY-19-METHOXY-CUCURBITA-6,23,25-TRIEN-3-BETA-OL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-16-29(7)23-15-17-31-24(12-13-25(32)27(31,4)5)30(23,26(33-8)34-31)19-18-28(22,29)6/h9-10,15,17,21-26,32H,1,11-14,16,18-19H2,2-8H3/b10-9+/t21-,22-,23+,24+,25+,26?,28-,29+,30+,31-/m1/s1 |
| InChIKey | WCMMZXFPTXDTOT-MQENPAHKSA-N |
| Literature Reference Author | Y.KIMURA,T.AKIHISA,N.YUASA,M.UKIYA,T.SUZUKI,M.TORIYAMA,S.MOT OHASHI,H.TOKUDA |
| Literature Reference Citation | J.NAT.PROD.,68,807(2005) |
| Literature Reference DOI | 10.1021/np040218p |
| Molecular Weight | 468.720 g/mol |
| Solvent | CDCl3 |