| SpectraBase Compound ID | BYbrOw3Tcnf |
|---|---|
| InChI | InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30?,31-/m1/s1 |
| InChIKey | XUOMQASZGNRVGJ-JYZMYDCXSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C31H38O8 |
| Exact Mass | 538.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZZWtcJ90zv |
|---|---|
| Name | 5-CINNAMOYL-10-ACETYLPHOTOTAXICIN-I |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O8 |
| InChI | InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30?,31-/m1/s1 |
| InChIKey | XUOMQASZGNRVGJ-JYZMYDCXSA-N |
| Literature Reference Author | G.APPENDINO,P.LUSSO,P.GARIBOLDI,E.BOMBARDELLI,B.GABETTA |
| Literature Reference Citation | PHYTOCHEM.,31,4259(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80455-N |
| Molecular Weight | 538.638 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26703 |