| SpectraBase Compound ID | HE36Z7oXAEG |
|---|---|
| InChI | InChI=1S/C54H78O19/c1-49(2)20-29-28-12-13-34-51(5)16-15-35(72-47-43(40(60)38(58)31(22-55)69-47)73-46-42(62)39(59)32(24-68-46)70-45-41(61)37(57)30(56)23-67-45)50(3,4)33(51)14-17-52(34,6)54(28)19-26(54)18-53(29,48(64)65)21-36(49)71-44(63)25-8-10-27(66-7)11-9-25/h8-12,26,29-43,45-47,55-62H,13-24H2,1-7H3,(H,64,65)/t26-,29+,30-,31-,32-,33+,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,45+,46+,47+,51+,52-,53-,54-/m1/s1 |
| InChIKey | NAYUDDIXRCZONZ-PLORLKPISA-N |
| Mol Weight | 1031.2 g/mol |
| Molecular Formula | C54H78O19 |
| Exact Mass | 1030.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUeLoYrpSnX |
|---|---|
| Name | VERBESINOSIDE_C;21-PARA-METHOXYBENZOYL_15-ALPHA,27-CYCLOOLEAN-12-EN-3-BETA,21-BETA-DIOL-28-OIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H78O19 |
| InChI | InChI=1S/C54H78O19/c1-49(2)20-29-28-12-13-34-51(5)16-15-35(72-47-43(40(60)38(58)31(22-55)69-47)73-46-42(62)39(59)32(24-68-46)70-45-41(61)37(57)30(56)23-67-45)50(3,4)33(51)14-17-52(34,6)54(28)19-26(54)18-53(29,48(64)65)21-36(49)71-44(63)25-8-10-27(66-7)11-9-25/h8-12,26,29-43,45-47,55-62H,13-24H2,1-7H3,(H,64,65)/t26-,29+,30-,31-,32-,33+,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,45+,46+,47+,51+,52-,53-,54-/m1/s1 |
| InChIKey | NAYUDDIXRCZONZ-PLORLKPISA-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 | 1031.202 g/mol |
| Sample ID | 32702 |
| Solvent | C5D5N |