| SpectraBase Compound ID | 2SKgkcoWGwX |
|---|---|
| InChI | InChI=1S/C34H42O9/c1-9-17(2)30(38)42-29-19(4)16-33-28(37)20(5)26(40-21(6)35)23-24(32(23,7)8)27(25(36)18(3)15-34(29,33)43-33)41-31(39)22-13-11-10-12-14-22/h9-15,19-20,23-27,29,36H,16H2,1-8H3/b17-9+,18-15+/t19-,20+,23-,24+,25+,26+,27-,29-,33-,34-/m0/s1 |
| InChIKey | OVWQPJOVWXRBHC-DQOMFPQGSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C34H42O9 |
| Exact Mass | 594.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | S3jJpAww24 |
|---|---|
| Name | 12-O-ACETYL-8-O-BENZOYLINGOL_3-TIGLATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42O9 |
| InChI | InChI=1S/C34H42O9/c1-9-17(2)30(38)42-29-19(4)16-33-28(37)20(5)26(40-21(6)35)23-24(32(23,7)8)27(25(36)18(3)15-34(29,33)43-33)41-31(39)22-13-11-10-12-14-22/h9-15,19-20,23-27,29,36H,16H2,1-8H3/b17-9+,18-15+/t19-,20+,23-,24+,25+,26+,27-,29-,33-,34-/m0/s1 |
| InChIKey | OVWQPJOVWXRBHC-DQOMFPQGSA-N |
| Literature Reference Author | X.L.LI,Y.LI,S.F.WANG,Y.L.ZHAO,K.C.LIU,X.M.WANG,Y.P.YANG |
| Literature Reference Citation | J.NAT.PROD.,72,1001(2009) |
| Literature Reference DOI | 10.1021/np800816n |
| Molecular Weight | 594.702 g/mol |
| Sample ID | 32687 |
| Solvent | CDCl3 |