![PRETERNATIN-A3;3-O-(6-O-BETA-D-GLUCOPYRANOSYL)-3',5'-DI-O-(6-O-[(E)-4-O-BETA-D-GLUCOPYRANOSYL-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-DELPHIDIN](/api/spectrum/2pWFoTvV30Z/structure.png?h=300&w=458 "PRETERNATIN-A3;3-O-(6-O-BETA-D-GLUCOPYRANOSYL)-3',5'-DI-O-(6-O-[(E)-4-O-BETA-D-GLUCOPYRANOSYL-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-DELPHIDIN")
| SpectraBase Compound ID | GQvsJgGQ1A0 |
|---|---|
| InChI | InChI=1S/C63H72O36/c64-18-35-43(72)48(77)53(82)59(95-35)89-27-7-1-23(2-8-27)5-11-40(69)87-21-38-46(75)51(80)56(85)61(98-38)92-32-13-25(58-34(17-29-30(68)15-26(67)16-31(29)91-58)94-63-55(84)50(79)45(74)37(20-66)97-63)14-33(42(32)71)93-62-57(86)52(81)47(76)39(99-62)22-88-41(70)12-6-24-3-9-28(10-4-24)90-60-54(83)49(78)44(73)36(19-65)96-60/h1-17,35-39,43-57,59-66,72-86H,18-22H2,(H2-,67,68,71)/p+1/b11-5+,12-6+/t35-,36?,37-,38+,39+,43-,44?,45-,46+,47+,48+,49?,50+,51-,52-,53-,54?,55-,56+,57+,59-,60?,61+,62+,63-/m1/s1 |
| InChIKey | PMLYNVAVMSICSM-DDALBDMLSA-O |
| Mol Weight | 1406.2 g/mol |
| Molecular Formula | C63H73O36 |
| Exact Mass | 1405.388154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pWFoTvV30Z |
|---|---|
| Name | PRETERNATIN-A3;3-O-(6-O-BETA-D-GLUCOPYRANOSYL)-3',5'-DI-O-(6-O-[(E)-4-O-BETA-D-GLUCOPYRANOSYL-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-DELPHIDIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H73O36 |
| InChI | InChI=1S/C63H72O36/c64-18-35-43(72)48(77)53(82)59(95-35)89-27-7-1-23(2-8-27)5-11-40(69)87-21-38-46(75)51(80)56(85)61(98-38)92-32-13-25(58-34(17-29-30(68)15-26(67)16-31(29)91-58)94-63-55(84)50(79)45(74)37(20-66)97-63)14-33(42(32)71)93-62-57(86)52(81)47(76)39(99-62)22-88-41(70)12-6-24-3-9-28(10-4-24)90-60-54(83)49(78)44(73)36(19-65)96-60/h1-17,35-39,43-57,59-66,72-86H,18-22H2,(H2-,67,68,71)/p+1/b11-5+,12-6+/t35-,36?,37-,38+,39+,43-,44?,45-,46+,47+,48+,49?,50+,51-,52-,53-,54?,55-,56+,57+,59-,60?,61+,62+,63-/m1/s1 |
| InChIKey | PMLYNVAVMSICSM-DDALBDMLSA-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 | 1406.251 g/mol |
| Solvent | DMSO-D6:CF3COOD=9:1 |
| Source File Reference | UWCS19771 |