| SpectraBase Compound ID | 9o3nL8omzRI |
|---|---|
| InChI | InChI=1S/C31H48O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,21-25,32-34H,9-17H2,1-7H3/t21-,22?,23?,24?,25+,27+,28+,29-,30-,31+/m1/s1 |
| InChIKey | WNEPSXGURYMBKK-YDWATKOFSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C31H48O5 |
| Exact Mass | 500.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4No9zfol9Pu |
|---|---|
| Name | METHYL-ISOPINFAENOATE;2-ALPHA,3-BETA,23-TRIHYDROXY-URSA-12,19-DIEN-28-O-METHYLESTER |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O5 |
| InChI | InChI=1S/C31H48O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,21-25,32-34H,9-17H2,1-7H3/t21-,22?,23?,24?,25+,27+,28+,29-,30-,31+/m1/s1 |
| InChIKey | WNEPSXGURYMBKK-YDWATKOFSA-N |
| Literature Reference Author | D.G.DURHAM,I.X.LIU,R.M.E.RICHARDS |
| Literature Reference Citation | PHYTOCHEM.,42,505(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00016-7 |
| Molecular Weight | 500.719 g/mol |
| Solvent | CDCl3 |