| SpectraBase Compound ID | AoCXMd1CvlO |
|---|---|
| InChI | InChI=1S/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1 |
| InChIKey | MGXHVYURWVASGT-JGKQFCEOSA-N |
| Mol Weight | 802.7 g/mol |
| Molecular Formula | C34H42O22 |
| Exact Mass | 802.216773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zeZDFvZlnc |
|---|---|
| Name | PEDUNCULOSIMOSIDE_E;OPHIOGLONOL_7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-4'-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42O22 |
| InChI | InChI=1S/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1 |
| InChIKey | MGXHVYURWVASGT-JGKQFCEOSA-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 | 802.694 g/mol |
| Sample ID | 37260 |
| Solvent | DMSO-D6 |