![LIGUROBUSTOSIDE-O;3,7-DIMETHYL-1-O-[(3-O-ALPHA-L-RHAMNOPYRANOSYL)-(4-O-P-COUMAROYL)-BETA-D-GLUCOPYRANOSYL]-2,7-OCTADIEN-6-ONE](/api/spectrum/AUQQ67qHMtM/structure.png?h=300&w=458 "LIGUROBUSTOSIDE-O;3,7-DIMETHYL-1-O-[(3-O-ALPHA-L-RHAMNOPYRANOSYL)-(4-O-P-COUMAROYL)-BETA-D-GLUCOPYRANOSYL]-2,7-OCTADIEN-6-ONE")
| SpectraBase Compound ID | EZ0aG1ufhlr |
|---|---|
| InChI | InChI=1S/C31H42O13/c1-16(2)21(34)11-5-17(3)13-14-40-30-27(39)29(44-31-26(38)25(37)24(36)18(4)41-31)28(22(15-32)42-30)43-23(35)12-8-19-6-9-20(33)10-7-19/h6-10,12-13,18,22,24-33,36-39H,1,5,11,14-15H2,2-4H3/b12-8+,17-13+/t18-,22-,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | UGBXTEQHQHJRAF-QHEFRYPTSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C31H42O13 |
| Exact Mass | 622.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUQQ67qHMtM |
|---|---|
| Name | LIGUROBUSTOSIDE-O;3,7-DIMETHYL-1-O-[(3-O-ALPHA-L-RHAMNOPYRANOSYL)-(4-O-P-COUMAROYL)-BETA-D-GLUCOPYRANOSYL]-2,7-OCTADIEN-6-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O13 |
| InChI | InChI=1S/C31H42O13/c1-16(2)21(34)11-5-17(3)13-14-40-30-27(39)29(44-31-26(38)25(37)24(36)18(4)41-31)28(22(15-32)42-30)43-23(35)12-8-19-6-9-20(33)10-7-19/h6-10,12-13,18,22,24-33,36-39H,1,5,11,14-15H2,2-4H3/b12-8+,17-13+/t18-,22-,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | UGBXTEQHQHJRAF-QHEFRYPTSA-N |
| Literature Reference Author | Z.D.HE,K.M.LAU,P.P.H.BUT,R.W.JIANG,H.DONG,S.C.MA,K.P.FUNG,W. C.YE,H.D.SUN |
| Literature Reference Citation | J.NAT.PROD.,66,851(2003) |
| Literature Reference DOI | 10.1021/np020568g |
| Molecular Weight | 622.667 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7922 |