![TERNATIN-B2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUCOPYRAN](/api/spectrum/BkTWW7XWHpg/structure.png?h=300&w=458 "TERNATIN-B2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUCOPYRAN")
| SpectraBase Compound ID | GehUxhF1n1z |
|---|---|
| InChI | InChI=1S/C75H80O41.C2HF3O2/c76-25-44-55(87)60(92)65(97)71(112-44)106-36-12-3-31(4-13-36)8-17-51(83)103-27-46-57(89)62(94)67(99)73(114-46)109-41-19-33(70-43(23-38-39(79)21-35(78)22-40(38)108-70)111-75-69(101)64(96)59(91)48(116-75)29-105-53(85)24-49(80)81)20-42(54(41)86)110-74-68(100)63(95)58(90)47(115-74)28-104-52(84)18-9-32-5-14-37(15-6-32)107-72-66(98)61(93)56(88)45(113-72)26-102-50(82)16-7-30-1-10-34(77)11-2-30;3-2(4,5)1(6)7/h1-23,44-48,55-69,71-76,87-101H,24-29H2,(H4-,77,78,79,80,81,82,86);(H,6,7)/b17-8+,18-9+;/t44-,45-,46-,47+,48-,55-,56-,57-,58+,59-,60+,61+,62+,63-,64+,65-,66-,67-,68+,69-,71-,72-,73-,74+,75-;/m1./s1 |
| InChIKey | QPYIIBNMPZFWEX-UPUXTQQYSA-N |
| Mol Weight | 1751.4 g/mol |
| Molecular Formula | C77H81F3O43 |
| Exact Mass | 1750.410366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BkTWW7XWHpg |
|---|---|
| Name | TERNATIN-B2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUCOPYRAN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H81F3O43 |
| InChI | InChI=1S/C75H80O41.C2HF3O2/c76-25-44-55(87)60(92)65(97)71(112-44)106-36-12-3-31(4-13-36)8-17-51(83)103-27-46-57(89)62(94)67(99)73(114-46)109-41-19-33(70-43(23-38-39(79)21-35(78)22-40(38)108-70)111-75-69(101)64(96)59(91)48(116-75)29-105-53(85)24-49(80)81)20-42(54(41)86)110-74-68(100)63(95)58(90)47(115-74)28-104-52(84)18-9-32-5-14-37(15-6-32)107-72-66(98)61(93)56(88)45(113-72)26-102-50(82)16-7-30-1-10-34(77)11-2-30;3-2(4,5)1(6)7/h1-23,44-48,55-69,71-76,87-101H,24-29H2,(H4-,77,78,79,80,81,82,86);(H,6,7)/b17-8+,18-9+;/t44-,45-,46-,47+,48-,55-,56-,57-,58+,59-,60+,61+,62+,63-,64+,65-,66-,67-,68+,69-,71-,72-,73-,74+,75-;/m1./s1 |
| InChIKey | QPYIIBNMPZFWEX-UPUXTQQYSA-N |
| Literature Reference Author | N.TERAHARA,M.ODA,T.MATSUI,Y.OSAJIMA,N.SAITO,K.TOKI,T.HONDA |
| Literature Reference Citation | J.NAT.PROD.,59,139(1996) |
| Literature Reference DOI | 10.1021/np960050a |
| Molecular Weight | 1751.460 g/mol |
| Solvent | DMSO-D6:CF3COOD |
| Source File Reference | UWVP2581 |