![PHLOGACANTHOSIDE_C;14-BETA,19-DIHYDROXYABIETA-8,13(15)-DIEN-16,12-OLIDE_19-O-[2-(4-HYDROXY-3,5-DIMETHOXYBENZOYL)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/7NOMrtWlmhx/structure.png?h=300&w=458 "PHLOGACANTHOSIDE_C;14-BETA,19-DIHYDROXYABIETA-8,13(15)-DIEN-16,12-OLIDE_19-O-[2-(4-HYDROXY-3,5-DIMETHOXYBENZOYL)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8t4VJfMiFaU |
|---|---|
| InChI | InChI=1S/C35H46O13/c1-16-25-20(46-31(16)41)13-19-18(26(25)37)7-8-24-34(2,9-6-10-35(19,24)3)15-45-33-30(29(40)28(39)23(14-36)47-33)48-32(42)17-11-21(43-4)27(38)22(12-17)44-5/h11-12,20,23-24,26,28-30,33,36-40H,6-10,13-15H2,1-5H3/t20-,23+,24-,26+,28+,29-,30+,33+,34+,35+/m1/s1 |
| InChIKey | SKMXIFVDKPBRPB-NPDVRHBKSA-N |
| Mol Weight | 674.7 g/mol |
| Molecular Formula | C35H46O13 |
| Exact Mass | 674.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NOMrtWlmhx |
|---|---|
| Name | PHLOGACANTHOSIDE_C;14-BETA,19-DIHYDROXYABIETA-8,13(15)-DIEN-16,12-OLIDE_19-O-[2-(4-HYDROXY-3,5-DIMETHOXYBENZOYL)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O13 |
| InChI | InChI=1S/C35H46O13/c1-16-25-20(46-31(16)41)13-19-18(26(25)37)7-8-24-34(2,9-6-10-35(19,24)3)15-45-33-30(29(40)28(39)23(14-36)47-33)48-32(42)17-11-21(43-4)27(38)22(12-17)44-5/h11-12,20,23-24,26,28-30,33,36-40H,6-10,13-15H2,1-5H3/t20-,23+,24-,26+,28+,29-,30+,33+,34+,35+/m1/s1 |
| InChIKey | SKMXIFVDKPBRPB-NPDVRHBKSA-N |
| Literature Reference Author | X.H.YUAN,B.G.LI,X.Y.ZHANG,H.Y.QI,M.ZHOU,G.L.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,68,86(2005) |
| Literature Reference DOI | 10.1021/np0497999 |
| Molecular Weight | 674.742 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8248 |