SpectraBase Compound ID | Ikdlh1lCRXG |
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InChI | InChI=1S/C60H64O34/c61-19-35-44(71)48(75)53(80)58(91-35)88-32-13-25(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)14-33(43(32)70)89-59-54(81)50(77)46(73)37(93-59)21-84-41(68)12-6-24-3-9-28(10-4-24)86-57-52(79)49(76)45(72)36(92-57)20-83-40(67)11-5-23-1-7-26(62)8-2-23/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38+,44-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-,55+,57-,58-,59-,60+/m1/s1 |
InChIKey | FXZMULPLRTXRTF-JMLJMKQZSA-O |
Mol Weight | 1330.1 g/mol |
Molecular Formula | C60H65O34 |
Exact Mass | 1329.335724 g/mol |
SpectraBase Spectrum ID | Kl6ABYPS8PR |
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Name | #1;TERNATIN-C1;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-(6-O-(E)-PARA-COUMARYL-BETA-D-GLUCOPYRANOSYL)-PARA-COUMARYL]-BETA-D-GLUCOPY |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C60H65O34 |
InChI | InChI=1S/C60H64O34/c61-19-35-44(71)48(75)53(80)58(91-35)88-32-13-25(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)14-33(43(32)70)89-59-54(81)50(77)46(73)37(93-59)21-84-41(68)12-6-24-3-9-28(10-4-24)86-57-52(79)49(76)45(72)36(92-57)20-83-40(67)11-5-23-1-7-26(62)8-2-23/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38+,44-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-,55+,57-,58-,59-,60+/m1/s1 |
InChIKey | FXZMULPLRTXRTF-JMLJMKQZSA-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 | 1330.156 g/mol |
Solvent | DMSO-D6:CF3COOD=9:1 |
Source File Reference | UWCS19767 |