| SpectraBase Compound ID | 6NpWhU4Cltm |
|---|---|
| InChI | InChI=1S/C31H44O12/c1-6-31(5,15-7-8-17(2)3)43-30-26(38)28(42-29-25(37)24(36)23(35)18(4)39-29)27(21(16-32)40-30)41-22(34)14-11-19-9-12-20(33)13-10-19/h6,8-14,18,21,23-30,32-33,35-38H,1,7,15-16H2,2-5H3/b14-11+/t18-,21-,23-,24+,25+,26-,27-,28-,29-,30+,31?/m0/s1 |
| InChIKey | MTWYOPMNIPFQKJ-IVPGGWMXSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C31H44O12 |
| Exact Mass | 608.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ch7BHSR968t |
|---|---|
| Name | LIPEDOSIDE-B-III;(3R/S)-LINALOYL-(3-O-ALPHA-L-RHAMNOPYRANOSYL)-(4-O-TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O12 |
| InChI | InChI=1S/C31H44O12/c1-6-31(5,15-7-8-17(2)3)43-30-26(38)28(42-29-25(37)24(36)23(35)18(4)39-29)27(21(16-32)40-30)41-22(34)14-11-19-9-12-20(33)13-10-19/h6,8-14,18,21,23-30,32-33,35-38H,1,7,15-16H2,2-5H3/b14-11+/t18-,21-,23-,24+,25+,26-,27-,28-,29-,30+,31?/m0/s1 |
| InChIKey | MTWYOPMNIPFQKJ-IVPGGWMXSA-N |
| Literature Reference Author | Z.D.HE,S.UEDA,M.AKAJI,T.FUJITA,K.INOUE,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,36,709(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89802-7 |
| Molecular Weight | 608.683 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS25684 |