| SpectraBase Compound ID | 5MLd0NTVXMR |
|---|---|
| InChI | InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)30(47-18)46-17-7-14-15(44-28(17)11-1-3-12(32)4-2-11)5-13(33)6-16(14)45-29-27(42)25(40)23(38)19(48-29)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m0/s1 |
| InChIKey | XAUWJGQEHRUDEM-FHVOXAEGSA-O |
| Mol Weight | 681.6 g/mol |
| Molecular Formula | C30H33O18 |
| Exact Mass | 681.166689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoMX4jSl3Wa |
|---|---|
| Name | PELARGONIDIN_3-OBETA-D-GLUCOSIDE-5-O-(6-O-MALONYL-BETA-D-GLUCOSIDE) |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H33O18 |
| InChI | InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)30(47-18)46-17-7-14-15(44-28(17)11-1-3-12(32)4-2-11)5-13(33)6-16(14)45-29-27(42)25(40)23(38)19(48-29)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m0/s1 |
| InChIKey | XAUWJGQEHRUDEM-FHVOXAEGSA-O |
| Literature Reference Author | K.HOSOKAWA,Y.FUKUNAGA,E.FUKUSHI,J.KAWABATA |
| Literature Reference Citation | PHYTOCHEM.,39,1437(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00140-3 |
| Molecular Weight | 681.581 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWMZ7861 |