| SpectraBase Compound ID | LEV317MtXXW |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-31(2)14-16-36(30(43)45-29-27(41)26(40)25(39)20(18-37)44-29)17-15-34(6)19(24(36)28(31)42)8-9-22-33(5)12-11-23(38)32(3,4)21(33)10-13-35(22,34)7/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21?,22?,23+,24?,25-,26+,27-,28+,29+,33+,34-,35-,36+/m1/s1 |
| InChIKey | BPRNBIVVHNFCPZ-NIKUFSMQSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DZw6amFNVO |
|---|---|
| Name | 3-BETA,19-ALPHA-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-(28->1)-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-31(2)14-16-36(30(43)45-29-27(41)26(40)25(39)20(18-37)44-29)17-15-34(6)19(24(36)28(31)42)8-9-22-33(5)12-11-23(38)32(3,4)21(33)10-13-35(22,34)7/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21?,22?,23+,24?,25-,26+,27-,28+,29+,33+,34-,35-,36+/m1/s1 |
| InChIKey | BPRNBIVVHNFCPZ-NIKUFSMQSA-N |
| Literature Reference Author | A.R.BILIA,E.PALME,S.CATALANO,G.FLAMINI,I.MORELLI |
| Literature Reference Citation | J.NAT.PROD.,57,333(1994) |
| Literature Reference DOI | 10.1021/np50105a001 |
| Molecular Weight | 634.851 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWTS1770 |