![TERNATIN-B4;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-5'-O-(6-O-(E)-P-C](/api/spectrum/ErNoJ0lhs1V/structure.png?h=300&w=458 "TERNATIN-B4;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-5'-O-(6-O-(E)-P-C")
| SpectraBase Compound ID | GjLvTH5DlgS |
|---|---|
| InChI | InChI=1S/C60H64O34.C2HF3O2/c61-19-35-44(71)48(75)52(79)57(91-35)86-28-9-3-24(4-10-28)6-12-41(68)84-21-37-46(73)50(77)54(81)59(93-37)89-33-14-25(13-32(43(33)70)88-58-53(80)49(76)45(72)36(92-58)20-83-40(67)11-5-23-1-7-26(62)8-2-23)56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66;3-2(4,5)1(6)7/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70);(H,6,7)/b12-6+;/t35-,36+,37-,38+,44-,45+,46-,47+,48+,49-,50+,51-,52-,53+,54-,55+,57-,58+,59-,60+;/m0./s1 |
| InChIKey | HVYCALBIDYAHPW-QAPFNVSESA-N |
| Mol Weight | 1443.2 g/mol |
| Molecular Formula | C62H65F3O36 |
| Exact Mass | 1442.320763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErNoJ0lhs1V |
|---|---|
| Name | TERNATIN-B4;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-5'-O-(6-O-(E)-P-C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H65F3O36 |
| InChI | InChI=1S/C60H64O34.C2HF3O2/c61-19-35-44(71)48(75)52(79)57(91-35)86-28-9-3-24(4-10-28)6-12-41(68)84-21-37-46(73)50(77)54(81)59(93-37)89-33-14-25(13-32(43(33)70)88-58-53(80)49(76)45(72)36(92-58)20-83-40(67)11-5-23-1-7-26(62)8-2-23)56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66;3-2(4,5)1(6)7/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70);(H,6,7)/b12-6+;/t35-,36+,37-,38+,44-,45+,46-,47+,48+,49-,50+,51-,52-,53+,54-,55+,57-,58+,59-,60+;/m0./s1 |
| InChIKey | HVYCALBIDYAHPW-QAPFNVSESA-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 | 1443.172 g/mol |
| Solvent | DMSO-D6:CF3COOD |
| Source File Reference | UWVP2579 |