| SpectraBase Compound ID | 1NMySTXBMvr |
|---|---|
| InChI | InChI=1S/C37H30O12S/c38-19-12-24(43)28-26(13-19)48-37(18-7-9-21(40)23(42)11-18)36(46)31(28)30-27(49-37)14-25(44)29-34(30)47-33(17-6-8-20(39)22(41)10-17)32(45)35(29)50-15-16-4-2-1-3-5-16/h1-14,31-33,35-36,38-46H,15H2/t31-,32-,33+,35?,36-,37+/m1/s1 |
| InChIKey | UDKCWWQONROGEO-NQXHAPEOSA-N |
| Mol Weight | 698.7 g/mol |
| Molecular Formula | C37H30O12S |
| Exact Mass | 698.145798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2RliGFKIo6V |
|---|---|
| Name | 4-BENZYLTHIOPROANTHOCYANIDIN-A-2 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H30O12S |
| InChI | InChI=1S/C37H30O12S/c38-19-12-24(43)28-26(13-19)48-37(18-7-9-21(40)23(42)11-18)36(46)31(28)30-27(49-37)14-25(44)29-34(30)47-33(17-6-8-20(39)22(41)10-17)32(45)35(29)50-15-16-4-2-1-3-5-16/h1-14,31-33,35-36,38-46H,15H2/t31-,32-,33+,35?,36-,37+/m1/s1 |
| InChIKey | UDKCWWQONROGEO-NQXHAPEOSA-N |
| Literature Reference Author | L.C.LIN,Y.C.KUO,C.J.CHOU |
| Literature Reference Citation | J.NAT.PROD.,65,505(2002) |
| Literature Reference DOI | 10.1021/np010414l |
| Molecular Weight | 698.698 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI5570 |