Ursolic Acid 400MHz DMSOd6 NMR data.
URL: https://nmrxiv.org/D1032
Dataset description:
NMR data for Contains: 1D: 1H, 13C 2D: COSY, HSQC, HMBC Attributed 13C spectrum (2018-03-23)
https://doi.org/10.7910/DVN/RXF88X, Harvard Dataverse, V1
Source: Ursolic Acid 400MHz DMSOd6 NMR data.
Chemical Info
| InChI |
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24?,27+,28-,29-,30+/m1/s1 |
| SMILES |
C[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CCC4[C@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]43C)C2[C@@H]1C |
| InChI Key |
WCGUUGGRBIKTOS-POPPTPIPSA-N |
| Molecular Formula |
C30H48O3 |
| Exact Mass |
456.700 g/mol |
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