| SpectraBase Compound ID | 7OvuV1n76xP |
|---|---|
| InChI | InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39?,40-,41?,44+,45-/m0/s1 |
| InChIKey | BYSRPHRKESMCPO-JTRFFULLSA-N |
| Mol Weight | 864.8 g/mol |
| Molecular Formula | C45H36O18 |
| Exact Mass | 864.190164 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 | BPAlAT5ob8E |
|---|---|
| Name | EPICATECHIN-(4-BETA->8,2-BETA->O->7)-EPICATECHIN-(4-BETA->8)-EPICATECHIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H36O18 |
| InChI | InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39?,40-,41?,44+,45-/m0/s1 |
| InChIKey | BYSRPHRKESMCPO-JTRFFULLSA-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 | 864.770 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI5569 |