![TERNATIN-C3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-5'-O-BETA-D-GLUCOPYRANOSYL-DELPHIDIN](/api/spectrum/bXSrSihzBr/structure.png?h=300&w=458 "TERNATIN-C3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-5'-O-BETA-D-GLUCOPYRANOSYL-DELPHIDIN")
| SpectraBase Compound ID | 8CrkOiRShVz |
|---|---|
| InChI | InChI=1S/C45H48O27/c46-13-26-33(55)36(58)39(61)43(70-26)67-23-7-17(8-24(32(23)54)68-44-40(62)37(59)34(56)27(71-44)14-64-30(52)6-3-16-1-4-18(47)5-2-16)42-25(11-20-21(49)9-19(48)10-22(20)66-42)69-45-41(63)38(60)35(57)28(72-45)15-65-31(53)12-29(50)51/h1-11,26-28,33-41,43-46,55-63H,12-15H2,(H4-,47,48,49,50,51,52,54)/p+1/t26-,27-,28+,33-,34-,35+,36+,37+,38-,39-,40-,41+,43-,44-,45+/m0/s1 |
| InChIKey | HRUUEDKBMVPXJT-SAKDRDICSA-O |
| Mol Weight | 1021.9 g/mol |
| Molecular Formula | C45H49O27 |
| Exact Mass | 1021.246121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bXSrSihzBr |
|---|---|
| Name | TERNATIN-C3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-5'-O-BETA-D-GLUCOPYRANOSYL-DELPHIDIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H49O27 |
| InChI | InChI=1S/C45H48O27/c46-13-26-33(55)36(58)39(61)43(70-26)67-23-7-17(8-24(32(23)54)68-44-40(62)37(59)34(56)27(71-44)14-64-30(52)6-3-16-1-4-18(47)5-2-16)42-25(11-20-21(49)9-19(48)10-22(20)66-42)69-45-41(63)38(60)35(57)28(72-45)15-65-31(53)12-29(50)51/h1-11,26-28,33-41,43-46,55-63H,12-15H2,(H4-,47,48,49,50,51,52,54)/p+1/t26-,27-,28+,33-,34-,35+,36+,37+,38-,39-,40-,41+,43-,44-,45+/m0/s1 |
| InChIKey | HRUUEDKBMVPXJT-SAKDRDICSA-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 | 1021.868 g/mol |
| Solvent | DMSO-D6:CF3COOD=9:1 |
| Source File Reference | UWCS19768 |