| SpectraBase Compound ID | 4i2XC3b1ErW |
|---|---|
| InChI | InChI=1S/C56H80O19/c1-51(2)22-31-30-13-14-36-53(5)18-17-37(74-49-46(43(63)41(61)33(24-57)71-49)75-48-45(65)42(62)34(26-70-48)72-47-44(64)40(60)32(58)25-69-47)52(3,4)35(53)16-19-54(36,6)56(30)21-28(56)20-55(31,50(66)67)23-38(51)73-39(59)15-10-27-8-11-29(68-7)12-9-27/h8-13,15,28,31-38,40-49,57-58,60-65H,14,16-26H2,1-7H3,(H,66,67)/b15-10+/t28-,31+,32-,33-,34-,35+,36-,37+,38+,40+,41-,42+,43+,44-,45-,46-,47+,48+,49+,53+,54-,55-,56-/m1/s1 |
| InChIKey | UZNVWFAXBDIGPG-VVYZHYENSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C56H80O19 |
| Exact Mass | 1056.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfIUThSc9ot |
|---|---|
| Name | VERBESINOSIDE_E;21-E-PARA-METHOXYCINNAMOYL-15-ALPHA,27-CYCLOOLEAN-12-EN9XOIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)-BETA-D- |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H80O19 |
| InChI | InChI=1S/C56H80O19/c1-51(2)22-31-30-13-14-36-53(5)18-17-37(74-49-46(43(63)41(61)33(24-57)71-49)75-48-45(65)42(62)34(26-70-48)72-47-44(64)40(60)32(58)25-69-47)52(3,4)35(53)16-19-54(36,6)56(30)21-28(56)20-55(31,50(66)67)23-38(51)73-39(59)15-10-27-8-11-29(68-7)12-9-27/h8-13,15,28,31-38,40-49,57-58,60-65H,14,16-26H2,1-7H3,(H,66,67)/b15-10+/t28-,31+,32-,33-,34-,35+,36-,37+,38+,40+,41-,42+,43+,44-,45-,46-,47+,48+,49+,53+,54-,55-,56-/m1/s1 |
| InChIKey | UZNVWFAXBDIGPG-VVYZHYENSA-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 | 1057.240 g/mol |
| Sample ID | 32704 |
| Solvent | C5D5N |