| SpectraBase Compound ID | 798o4s54naC |
|---|---|
| InChI | InChI=1S/C33H54O4/c1-21(12-11-16-29(3,4)35)23-15-17-33(9)28-26(36-10)20-25-24(31(28,7)18-19-32(23,33)8)13-14-27(30(25,5)6)37-22(2)34/h11,16,20-21,23-24,26-28,35H,12-15,17-19H2,1-10H3/b16-11+/t21-,23-,24-,26+,27+,28-,31+,32-,33+/m1/s1 |
| InChIKey | HTNIITNSZZBRJS-FGYVLPADSA-N |
| Mol Weight | 514.8 g/mol |
| Molecular Formula | C33H54O4 |
| Exact Mass | 514.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHLxEHYoQyX |
|---|---|
| Name | 3-BETA-ACETOXY-7-BETA-METHOXYCUCURBITA-5,23-(E)-DIEN-25-OL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O4 |
| InChI | InChI=1S/C33H54O4/c1-21(12-11-16-29(3,4)35)23-15-17-33(9)28-26(36-10)20-25-24(31(28,7)18-19-32(23,33)8)13-14-27(30(25,5)6)37-22(2)34/h11,16,20-21,23-24,26-28,35H,12-15,17-19H2,1-10H3/b16-11+/t21-,23-,24-,26+,27+,28-,31+,32-,33+/m1/s1 |
| InChIKey | HTNIITNSZZBRJS-FGYVLPADSA-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 | 514.789 g/mol |
| Sample ID | 28415 |
| Solvent | CDCl3 |