| SpectraBase Compound ID | 10f2z46WrM3 |
|---|---|
| InChI | InChI=1S/C55H78O18/c1-50(2)22-30-29-13-14-35-52(5)18-17-36(72-48-45(42(62)40(60)32(24-56)69-48)73-47-44(64)41(61)33(26-68-47)70-46-43(63)39(59)31(57)25-67-46)51(3,4)34(52)16-19-53(35,6)55(29)21-28(55)20-54(30,49(65)66)23-37(50)71-38(58)15-12-27-10-8-7-9-11-27/h7-13,15,28,30-37,39-48,56-57,59-64H,14,16-26H2,1-6H3,(H,65,66)/b15-12+/t28-,30+,31-,32-,33-,34+,35-,36+,37+,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,52+,53-,54-,55-/m1/s1 |
| InChIKey | NDCPZFPNVULXLE-XQDROYBISA-N |
| Mol Weight | 1027.2 g/mol |
| Molecular Formula | C55H78O18 |
| Exact Mass | 1026.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bjnKsFp3Dq |
|---|---|
| Name | VERBESINOSIDE_F;21-E-CINNAMOYL-15-ALPHA,27-CYCLOOLEAN-12-EN-3-BETA,21-BETA-DIOL-28-OIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)-BETA-D- |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H78O18 |
| InChI | InChI=1S/C55H78O18/c1-50(2)22-30-29-13-14-35-52(5)18-17-36(72-48-45(42(62)40(60)32(24-56)69-48)73-47-44(64)41(61)33(26-68-47)70-46-43(63)39(59)31(57)25-67-46)51(3,4)34(52)16-19-53(35,6)55(29)21-28(55)20-54(30,49(65)66)23-37(50)71-38(58)15-12-27-10-8-7-9-11-27/h7-13,15,28,30-37,39-48,56-57,59-64H,14,16-26H2,1-6H3,(H,65,66)/b15-12+/t28-,30+,31-,32-,33-,34+,35-,36+,37+,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,52+,53-,54-,55-/m1/s1 |
| InChIKey | NDCPZFPNVULXLE-XQDROYBISA-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 | 1027.214 g/mol |
| Sample ID | 32705 |
| Solvent | C5D5N |