| SpectraBase Compound ID | KeqO6RyhWlw |
|---|---|
| InChI | InChI=1S/C51H74O17/c1-46(2)20-27-26-10-11-33-48(5)14-13-34(67-44-41(38(56)37(55)31(22-52)65-44)68-43-39(57)36(54)28(53)23-64-43)47(3,4)32(48)12-15-49(33,6)51(26)19-25(51)18-50(27,45(59)60)21-35(46)66-42(58)24-16-29(61-7)40(63-9)30(17-24)62-8/h10,16-17,25,27-28,31-39,41,43-44,52-57H,11-15,18-23H2,1-9H3,(H,59,60)/t25-,27+,28-,31-,32+,33-,34+,35+,36+,37-,38+,39-,41-,43+,44+,48+,49-,50-,51-/m1/s1 |
| InChIKey | SBNHOGAXBFZLIY-MYERFEPKSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C51H74O17 |
| Exact Mass | 958.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28D4uI3ANg3 |
|---|---|
| Name | VERBESINOSIDE_B;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 | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H74O17 |
| InChI | InChI=1S/C51H74O17/c1-46(2)20-27-26-10-11-33-48(5)14-13-34(67-44-41(38(56)37(55)31(22-52)65-44)68-43-39(57)36(54)28(53)23-64-43)47(3,4)32(48)12-15-49(33,6)51(26)19-25(51)18-50(27,45(59)60)21-35(46)66-42(58)24-16-29(61-7)40(63-9)30(17-24)62-8/h10,16-17,25,27-28,31-39,41,43-44,52-57H,11-15,18-23H2,1-9H3,(H,59,60)/t25-,27+,28-,31-,32+,33-,34+,35+,36+,37-,38+,39-,41-,43+,44+,48+,49-,50-,51-/m1/s1 |
| InChIKey | SBNHOGAXBFZLIY-MYERFEPKSA-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 | 959.138 g/mol |
| Sample ID | 32701 |
| Solvent | C5D5N |