| SpectraBase Compound ID | 6IdaAraDQ2Q |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)17-20-19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-30(22,7)29(19,6)15-16-31(20,18-24(26)33)25(34)35-8/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,28-,29+,30+,31+/m0/s1 |
| InChIKey | SCRQJMORGYBWEK-GVEKJLHCSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6mR09sH1np |
|---|---|
| Name | METHYL-MACHAERINATE;METHYL-3-BETA,21-BETA-DIHYDROXY-OLEAN-12-EN-28-OATE |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)17-20-19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-30(22,7)29(19,6)15-16-31(20,18-24(26)33)25(34)35-8/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,28-,29+,30+,31+/m0/s1 |
| InChIKey | SCRQJMORGYBWEK-GVEKJLHCSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5135 |