| SpectraBase Compound ID | 3bDTJVMYtXf |
|---|---|
| InChI | InChI=1S/C37H58O9/c1-32(2)15-17-37(31(42)43)18-16-35(6)20(21(37)19-32)9-10-23-34(5)13-12-24(33(3,4)22(34)11-14-36(23,35)7)45-30-27(40)25(38)26(39)28(46-30)29(41)44-8/h9,21-28,30,38-40H,10-19H2,1-8H3,(H,42,43)/t21-,22-,23+,24-,25-,26-,27+,28-,30+,34?,35?,36?,37-/m0/s1 |
| InChIKey | PLFVAHQBFNVLPJ-LSVNPPHSSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C37H58O9 |
| Exact Mass | 646.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfMsj2WlfCN |
|---|---|
| Name | OLEANOLIC_ACID-3-O-BETA-D-GLUCURONOPYRANOSIDE-6-O-METHYLESTER;CALENDULOSIDE_E_METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O9 |
| InChI | InChI=1S/C37H58O9/c1-32(2)15-17-37(31(42)43)18-16-35(6)20(21(37)19-32)9-10-23-34(5)13-12-24(33(3,4)22(34)11-14-36(23,35)7)45-30-27(40)25(38)26(39)28(46-30)29(41)44-8/h9,21-28,30,38-40H,10-19H2,1-8H3,(H,42,43)/t21-,22-,23+,24-,25-,26-,27+,28-,30+,34?,35?,36?,37-/m0/s1 |
| InChIKey | PLFVAHQBFNVLPJ-LSVNPPHSSA-N |
| Literature Reference Author | M.HU,K.OGAWA,Y.SASHIDA,P.G.XIAO |
| Literature Reference Citation | PHYTOCHEM.,39,179(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00902-6 |
| Molecular Weight | 646.862 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8978 |