| SpectraBase Compound ID | 7U7YTuzrsnn |
|---|---|
| InChI | InChI=1S/C42H40O26/c1-61-33-13(35-29(53)27(51)25(49)21(65-35)9-63-39(57)11-3-17(43)23(47)18(44)4-11)7-15-37(31(33)55)67-42(60)16-8-14(34(62-2)32(56)38(16)68-41(15)59)36-30(54)28(52)26(50)22(66-36)10-64-40(58)12-5-19(45)24(48)20(46)6-12/h3-8,21-22,25-30,35-36,43-56H,9-10H2,1-2H3/t21-,22-,25-,26-,27+,28+,29-,30-,35+,36+/m0/s1 |
| InChIKey | DXKGWDISVOGUDQ-KMSHIYDRSA-N |
| Mol Weight | 960.8 g/mol |
| Molecular Formula | C42H40O26 |
| Exact Mass | 960.180781 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 | 8zJeJkMq0Yl |
|---|---|
| Name | ARDIMERIN_DIGALLATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H40O26 |
| InChI | InChI=1S/C42H40O26/c1-61-33-13(35-29(53)27(51)25(49)21(65-35)9-63-39(57)11-3-17(43)23(47)18(44)4-11)7-15-37(31(33)55)67-42(60)16-8-14(34(62-2)32(56)38(16)68-41(15)59)36-30(54)28(52)26(50)22(66-36)10-64-40(58)12-5-19(45)24(48)20(46)6-12/h3-8,21-22,25-30,35-36,43-56H,9-10H2,1-2H3/t21-,22-,25-,26-,27+,28+,29-,30-,35+,36+/m0/s1 |
| InChIKey | DXKGWDISVOGUDQ-KMSHIYDRSA-N |
| Literature Reference Author | N.T.DAT,K.H.BAE,A.WAMIRU,J.B.MCMAHON,S.F.J.LEGRICE,M.BONA,J. A.BEUTLER,Y.H.KIM |
| Literature Reference Citation | J.NAT.PROD.,70,839(2007) |
| Literature Reference DOI | 10.1021/np060359m |
| Molecular Weight | 960.764 g/mol |
| Sample ID | 30321 |
| Solvent | CD3OD |