| SpectraBase Compound ID | B8d0q87nCzL |
|---|---|
| InChI | InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m0/s1 |
| InChIKey | HTSBCGPVSFENKR-YLHMHZQASA-N |
| Mol Weight | 708.7 g/mol |
| Molecular Formula | C33H40O17 |
| Exact Mass | 708.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZWC0JAdsdl |
|---|---|
| Name | PEDUNCULOSIMOSIDE_B;5'-(3-METHYL-2-BUTEN-1-YL)-OPHIOGLONOL_7-O-BETA-D-GLUCOPYRANOSYL-4'-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O17 |
| InChI | InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m0/s1 |
| InChIKey | HTSBCGPVSFENKR-YLHMHZQASA-N |
| Literature Reference Author | C.X.WAN,P.H.ZHANG,J.G.LUO,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,74,683(2011) |
| Literature Reference DOI | 10.1021/np100745z |
| Molecular Weight | 708.670 g/mol |
| Sample ID | 37256 |
| Solvent | DMSO-D6 |