| SpectraBase Compound ID | johlAQPATc |
|---|---|
| InChI | InChI=1S/C56H82O21/c1-51(2)20-28-27-10-11-35-53(5)14-13-36(76-49-45(41(62)39(60)32(22-57)73-49)77-48-43(64)40(61)33(24-72-48)74-47-42(63)38(59)29(58)23-71-47)52(3,4)34(53)12-15-54(35,6)56(27)19-26(56)18-55(28,50(66)67)21-37(51)75-46(65)25-16-30(68-7)44(70-9)31(17-25)69-8/h10,16-17,26,28-29,32-43,45,47-49,57-64H,11-15,18-24H2,1-9H3,(H,66,67)/t26-,28+,29-,32-,33-,34+,35-,36+,37+,38+,39-,40+,41+,42-,43-,45-,47+,48+,49+,53+,54-,55-,56-/m1/s1 |
| InChIKey | GCZSPLWJXTWMPZ-VSXLPPPZSA-N |
| Mol Weight | 1091.3 g/mol |
| Molecular Formula | C56H82O21 |
| Exact Mass | 1090.53486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNj8DPhabwn |
|---|---|
| Name | VERBESINOSIDE_A;21-TRIMETHOXYBENZOYL_15-ALPHA,27-CYCLOOLEAN-12-EN-3-BETA,21-BETA-DIOL-28-OIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)-BETA-D- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H82O21 |
| InChI | InChI=1S/C56H82O21/c1-51(2)20-28-27-10-11-35-53(5)14-13-36(76-49-45(41(62)39(60)32(22-57)73-49)77-48-43(64)40(61)33(24-72-48)74-47-42(63)38(59)29(58)23-71-47)52(3,4)34(53)12-15-54(35,6)56(27)19-26(56)18-55(28,50(66)67)21-37(51)75-46(65)25-16-30(68-7)44(70-9)31(17-25)69-8/h10,16-17,26,28-29,32-43,45,47-49,57-64H,11-15,18-24H2,1-9H3,(H,66,67)/t26-,28+,29-,32-,33-,34+,35-,36+,37+,38+,39-,40+,41+,42-,43-,45-,47+,48+,49+,53+,54-,55-,56-/m1/s1 |
| InChIKey | GCZSPLWJXTWMPZ-VSXLPPPZSA-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 | 1091.254 g/mol |
| Sample ID | 32700 |
| Solvent | CD3OD |