| SpectraBase Compound ID | 3AAl5dm6fFh |
|---|---|
| InChI | InChI=1S/C35H46O8/c1-6-7-8-9-13-16-26(37)43-34-19-22(3)33-18-21(2)30(42-31(40)23-14-11-10-12-15-23)35(33,41)28(38)24(20-36)17-25(29(33)39)27(34)32(34,4)5/h10-12,14-15,17-18,22,25,27-28,30,36,38,41H,6-9,13,16,19-20H2,1-5H3/t22-,25+,27-,28-,30+,33+,34+,35+/m1/s1 |
| InChIKey | SJTLTQOXTPVUHS-XUMIGGNASA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C35H46O8 |
| Exact Mass | 594.319268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8s1wN0ecDK |
|---|---|
| Name | 3-O-BENZOYLOXY-13-OCTANOYLOXY-INGENOL |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O8 |
| InChI | InChI=1S/C35H46O8/c1-6-7-8-9-13-16-26(37)43-34-19-22(3)33-18-21(2)30(42-31(40)23-14-11-10-12-15-23)35(33,41)28(38)24(20-36)17-25(29(33)39)27(34)32(34,4)5/h10-12,14-15,17-18,22,25,27-28,30,36,38,41H,6-9,13,16,19-20H2,1-5H3/t22-,25+,27-,28-,30+,33+,34+,35+/m1/s1 |
| InChIKey | SJTLTQOXTPVUHS-XUMIGGNASA-N |
| Literature Reference Author | Z.Q.LU,M.YANG,J.Q.ZHANG,G.T.CHEN,H.L.HUANG,S.H.GUAN,C.MA,X.L IU,D.A.GUO |
| Literature Reference Citation | PHYTOCHEM.,69,812(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.09.013 |
| Molecular Weight | 594.745 g/mol |
| Sample ID | 42745 |
| Solvent | CDCl3 |