| SpectraBase Compound ID | IYb2TRD6FSy |
|---|---|
| InChI | InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p+1/t18-,19-,20+,24-,25-,26+,27+,28+,29-,30-,31-,32+,34-,35-,36+/m0/s1 |
| InChIKey | WTWWJFYJOBVFTF-QKOMTAPISA-O |
| Mol Weight | 875.7 g/mol |
| Molecular Formula | C36H43O25 |
| Exact Mass | 875.209342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pfE5dtb72g |
|---|---|
| Name | TERNATIN-C5;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3',5'-DI-O-BETA-D-GLUCOPYRANOSYL-DELPHIDIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H43O25 |
| InChI | InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p+1/t18-,19-,20+,24-,25-,26+,27+,28+,29-,30-,31-,32+,34-,35-,36+/m0/s1 |
| InChIKey | WTWWJFYJOBVFTF-QKOMTAPISA-O |
| Literature Reference Author | N.TERAHARA,K.TOKI,N.SAITO,T.HONDA,T.MATSUI,Y.OSAJIMA |
| Literature Reference Citation | J.NAT.PROD.,61,1361(1998) |
| Literature Reference DOI | 10.1021/np980160c |
| Molecular Weight | 875.722 g/mol |
| Solvent | DMSO-D6:CF3COOD=9:1 |
| Source File Reference | UWCS19770 |