| SpectraBase Compound ID | 855ey5wmBc3 |
|---|---|
| InChI | InChI=1S/C32H38O8/c1-6-17(2)28(36)39-15-21-13-22-24-23(30(24,5)16-40-29(37)20-10-8-7-9-11-20)12-19(4)31(27(22)35)14-18(3)25(33)32(31,38)26(21)34/h6-11,13-14,19,22-26,33-34,38H,12,15-16H2,1-5H3/b17-6-/t19-,22+,23-,24+,25+,26-,30-,31+,32-/m1/s1 |
| InChIKey | OTHCHCNQKHHGNQ-PHEQUDGUSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C32H38O8 |
| Exact Mass | 550.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMFzHjKSpuy |
|---|---|
| Name | 17-HYDROXY-INGENOL-17-BENZOATE-20-ANGELATE |
| Compound Number | 87 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H38O8 |
| InChI | InChI=1S/C32H38O8/c1-6-17(2)28(36)39-15-21-13-22-24-23(30(24,5)16-40-29(37)20-10-8-7-9-11-20)12-19(4)31(27(22)35)14-18(3)25(33)32(31,38)26(21)34/h6-11,13-14,19,22-26,33-34,38H,12,15-16H2,1-5H3/b17-6-/t19-,22+,23-,24+,25+,26-,30-,31+,32-/m1/s1 |
| InChIKey | OTHCHCNQKHHGNQ-PHEQUDGUSA-N |
| Literature Reference Author | Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN |
| Literature Reference Citation | MOLECULES,14,4454(2009) |
| Literature Reference DOI | 10.3390/molecules14114454 |
| Molecular Weight | 550.649 g/mol |
| Sample ID | 69967 |
| Solvent | CDCl3 |