![TERNATIN-D2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-4-O-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUC](/api/spectrum/DSwfUVgTt8P/structure.png?h=300&w=458 "TERNATIN-D2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-4-O-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUC")
| SpectraBase Compound ID | FlTyv856IcT |
|---|---|
| InChI | InChI=1S/C69H70O36.C2HF3O2/c70-33-10-1-29(2-11-33)7-16-48(76)93-25-43-53(81)57(85)61(89)66(102-43)97-36-14-5-31(6-15-36)9-18-50(78)95-27-45-55(83)59(87)63(91)68(104-45)100-41-20-32(19-40(52(41)80)99-67-62(90)58(86)54(82)44(103-67)26-94-49(77)17-8-30-3-12-34(71)13-4-30)65-42(23-37-38(73)21-35(72)22-39(37)98-65)101-69-64(92)60(88)56(84)46(105-69)28-96-51(79)24-47(74)75;3-2(4,5)1(6)7/h1-23,43-46,53-64,66-69,81-92H,24-28H2,(H5-,70,71,72,73,74,75,76,77,80);(H,6,7)/b18-9+;/t43-,44+,45-,46+,53-,54+,55-,56+,57+,58-,59+,60-,61-,62+,63-,64+,66-,67+,68-,69+;/m0./s1 |
| InChIKey | LPHWXNSEDBGZMZ-RBROTLPZSA-N |
| Mol Weight | 1589.3 g/mol |
| Molecular Formula | C71H71F3O38 |
| Exact Mass | 1588.357542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSwfUVgTt8P |
|---|---|
| Name | TERNATIN-D2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-4-O-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUC |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H71F3O38 |
| InChI | InChI=1S/C69H70O36.C2HF3O2/c70-33-10-1-29(2-11-33)7-16-48(76)93-25-43-53(81)57(85)61(89)66(102-43)97-36-14-5-31(6-15-36)9-18-50(78)95-27-45-55(83)59(87)63(91)68(104-45)100-41-20-32(19-40(52(41)80)99-67-62(90)58(86)54(82)44(103-67)26-94-49(77)17-8-30-3-12-34(71)13-4-30)65-42(23-37-38(73)21-35(72)22-39(37)98-65)101-69-64(92)60(88)56(84)46(105-69)28-96-51(79)24-47(74)75;3-2(4,5)1(6)7/h1-23,43-46,53-64,66-69,81-92H,24-28H2,(H5-,70,71,72,73,74,75,76,77,80);(H,6,7)/b18-9+;/t43-,44+,45-,46+,53-,54+,55-,56+,57+,58-,59+,60-,61-,62+,63-,64+,66-,67+,68-,69+;/m0./s1 |
| InChIKey | LPHWXNSEDBGZMZ-RBROTLPZSA-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 | 1589.317 g/mol |
| Solvent | DMSO-D6:CF3COOD |
| Source File Reference | UWVP2582 |