SpectraBase Compound ID | AkqbwsHgHiu |
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InChI | InChI=1S/C58H94O26/c1-23-33(64)36(67)39(70)48(77-23)81-44-29(63)21-75-47(42(44)73)80-43-24(2)78-49(41(72)38(43)69)82-45-34(65)28(62)20-76-51(45)84-52(74)58-15-13-53(3,4)17-26(58)25-9-10-32-54(5)18-27(61)46(83-50-40(71)37(68)35(66)30(19-59)79-50)55(6,22-60)31(54)11-12-57(32,8)56(25,7)14-16-58/h9,23-24,26-51,59-73H,10-22H2,1-8H3/t23-,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37+,38+,39+,40-,41-,42+,43+,44-,45-,46+,47-,48-,49+,50+,51+,54?,55+,56?,57?,58+/m1/s1 |
InChIKey | QUDWGSBCPFWXSW-MLNADGEHSA-N |
Mol Weight | 1207.4 g/mol |
Molecular Formula | C58H94O26 |
Exact Mass | 1206.603333 g/mol |
SpectraBase Spectrum ID | Gm4JfzKfkiw |
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Name | TACACOSIDE-C;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)- |
Compound Number | 6 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C58H94O26 |
InChI | InChI=1S/C58H94O26/c1-23-33(64)36(67)39(70)48(77-23)81-44-29(63)21-75-47(42(44)73)80-43-24(2)78-49(41(72)38(43)69)82-45-34(65)28(62)20-76-51(45)84-52(74)58-15-13-53(3,4)17-26(58)25-9-10-32-54(5)18-27(61)46(83-50-40(71)37(68)35(66)30(19-59)79-50)55(6,22-60)31(54)11-12-57(32,8)56(25,7)14-16-58/h9,23-24,26-51,59-73H,10-22H2,1-8H3/t23-,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37+,38+,39+,40-,41-,42+,43+,44-,45-,46+,47-,48-,49+,50+,51+,54?,55+,56?,57?,58+/m1/s1 |
InChIKey | QUDWGSBCPFWXSW-MLNADGEHSA-N |
Literature Reference Author | V.H.CASTRO,E.RAMIREZ,G.A.MORA,Y.IWASE,T.NAGAO,H.OKABE,H.MATS UNAGA,M.KATANO,M.MOR |
Literature Reference Citation | CHEM.PHARM.BULL.,45,349(1997) |
Literature Reference DOI | 10.1248/cpb.45.349 |
Molecular Weight | 1207.369 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN28748 |