![TERNATIN-B3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[(6-O-[((E)-4-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-P](/api/spectrum/JdxWK1I0UsN/structure.png?h=300&w=458 "TERNATIN-B3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[(6-O-[((E)-4-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-P")
| SpectraBase Compound ID | AhTyBnTGgTa |
|---|---|
| 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)102-26-45-56(88)61(93)66(98)72(113-45)107-37-14-5-32(6-15-37)9-18-52(84)104-28-47-58(90)63(95)68(100)74(115-47)110-42-20-33(19-41(54(42)86)109-73-67(99)62(94)57(89)46(114-73)27-103-50(82)16-7-30-1-10-34(77)11-2-30)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;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+;/m0./s1 |
| InChIKey | APYSVEULVQYYLB-QJCQXKHWSA-N |
| Mol Weight | 1751.4 g/mol |
| Molecular Formula | C77H81F3O43 |
| Exact Mass | 1750.410366 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 | JdxWK1I0UsN |
|---|---|
| Name | TERNATIN-B3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[(6-O-[((E)-4-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-P |
| Compound Number | 3 |
| 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)102-26-45-56(88)61(93)66(98)72(113-45)107-37-14-5-32(6-15-37)9-18-52(84)104-28-47-58(90)63(95)68(100)74(115-47)110-42-20-33(19-41(54(42)86)109-73-67(99)62(94)57(89)46(114-73)27-103-50(82)16-7-30-1-10-34(77)11-2-30)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;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+;/m0./s1 |
| InChIKey | APYSVEULVQYYLB-QJCQXKHWSA-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 | UWVP2580 |