SpectraBase Compound ID | 5wYMd99VLJC |
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InChI | InChI=1S/C58H84O21/c1-53(2)22-30-29-11-12-37-55(5)16-15-38(78-51-48(44(65)42(63)34(24-59)75-51)79-50-46(67)43(64)35(26-74-50)76-49-45(66)41(62)31(60)25-73-49)54(3,4)36(55)14-17-56(37,6)58(29)21-28(58)20-57(30,52(68)69)23-39(53)77-40(61)13-10-27-18-32(70-7)47(72-9)33(19-27)71-8/h10-11,13,18-19,28,30-31,34-39,41-46,48-51,59-60,62-67H,12,14-17,20-26H2,1-9H3,(H,68,69)/b13-10+/t28-,30+,31-,34-,35-,36+,37-,38+,39+,41+,42-,43+,44+,45-,46-,48-,49+,50+,51+,55+,56-,57-,58-/m1/s1 |
InChIKey | ZKSYEGZSTCTSIS-ZEMVLCAPSA-N |
Mol Weight | 1117.3 g/mol |
Molecular Formula | C58H84O21 |
Exact Mass | 1116.55051 g/mol |
SpectraBase Spectrum ID | FBldPInLJQ1 |
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Name | VERBESINOSIDE_D;21-E-TRIMETHOXYCINNAMOYL-15-ALPHA,27-CYCLOOLEAN-12-EN-3-BETA,21-BETA-DIOL-28-OIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)-BETA-D- |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C58H84O21 |
InChI | InChI=1S/C58H84O21/c1-53(2)22-30-29-11-12-37-55(5)16-15-38(78-51-48(44(65)42(63)34(24-59)75-51)79-50-46(67)43(64)35(26-74-50)76-49-45(66)41(62)31(60)25-73-49)54(3,4)36(55)14-17-56(37,6)58(29)21-28(58)20-57(30,52(68)69)23-39(53)77-40(61)13-10-27-18-32(70-7)47(72-9)33(19-27)71-8/h10-11,13,18-19,28,30-31,34-39,41-46,48-51,59-60,62-67H,12,14-17,20-26H2,1-9H3,(H,68,69)/b13-10+/t28-,30+,31-,34-,35-,36+,37-,38+,39+,41+,42-,43+,44+,45-,46-,48-,49+,50+,51+,55+,56-,57-,58-/m1/s1 |
InChIKey | ZKSYEGZSTCTSIS-ZEMVLCAPSA-N |
Literature Reference Author | W.H.XU,M.R.JACOB,A.K.AGARWAL,A.M.CLARK,Z.S.LIANG,X.C.LI |
Literature Reference Citation | J.NAT.PROD.,72,1022(2009) |
Literature Reference DOI | 10.1021/np900180y |
Molecular Weight | 1117.292 g/mol |
Sample ID | 32703 |
Solvent | C5D5N |