| SpectraBase Compound ID | AFj5IBVZTFk |
|---|---|
| InChI | InChI=1S/C31H32O16/c1-42-15-8-16-20-12(6-14(43-16)11-2-4-13(34)5-3-11)7-17(30(40)41)44-27(20)21(15)28-29(25(38)23(36)18(9-32)45-28)47-31-26(39)24(37)22(35)19(10-33)46-31/h2-8,18-19,22-26,28-29,31-33,35-39H,9-10H2,1H3,(H-,34,40,41)/p+1/t18-,19-,22-,23-,24+,25+,26-,28+,29-,31+/m0/s1 |
| InChIKey | RBZNPDLWOUYYKZ-XUPUWWFFSA-O |
| Mol Weight | 661.6 g/mol |
| Molecular Formula | C31H33O16 |
| Exact Mass | 661.17686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgU6Zqv49ek |
|---|---|
| Name | 6-O-SOPHOROSYL-3-DEOXY-5-CARBOXYPYRANO-7-O-METHYL-APIGENINIDIN |
| Compound Number | CP3(6) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H33O16 |
| InChI | InChI=1S/C31H32O16/c1-42-15-8-16-20-12(6-14(43-16)11-2-4-13(34)5-3-11)7-17(30(40)41)44-27(20)21(15)28-29(25(38)23(36)18(9-32)45-28)47-31-26(39)24(37)22(35)19(10-33)46-31/h2-8,18-19,22-26,28-29,31-33,35-39H,9-10H2,1H3,(H-,34,40,41)/p+1/t18-,19-,22-,23-,24+,25+,26-,28+,29-,31+/m0/s1 |
| InChIKey | RBZNPDLWOUYYKZ-XUPUWWFFSA-O |
| Literature Reference Author | O.BROROY,S.RAYYAN,T.FOSSEN,O.M.ANDERSEN |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,6668(2009) |
| Literature Reference DOI | 10.1021/jf900759q |
| Molecular Weight | 661.593 g/mol |
| Sample ID | 68071 |
| Solvent | CF3COOD:CD3OD=5:95 |