| SpectraBase Compound ID | BGP9oatvhP2 |
|---|---|
| InChI | InChI=1S/C31H48O5/c1-17-18(2)25-19-9-10-21-28(5)12-11-23(33)27(3,4)22(28)15-24(34)30(21,7)29(19,6)13-14-31(25,16-20(17)32)26(35)36-8/h9-10,17-18,20,22-25,32-34H,11-16H2,1-8H3/t17-,18-,20-,22-,23-,24-,25-,28+,29+,30-,31+/m0/s1 |
| InChIKey | GEKQJGLEOMQULV-PWJAENLDSA-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 | 6td68VYUXrg |
|---|---|
| Name | METHYL-3-BETA,7-BETA,21-BETA-TRIHYDROXY-URSA-9(11),12-DIEN-28-OATE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O5 |
| InChI | InChI=1S/C31H48O5/c1-17-18(2)25-19-9-10-21-28(5)12-11-23(33)27(3,4)22(28)15-24(34)30(21,7)29(19,6)13-14-31(25,16-20(17)32)26(35)36-8/h9-10,17-18,20,22-25,32-34H,11-16H2,1-8H3/t17-,18-,20-,22-,23-,24-,25-,28+,29+,30-,31+/m0/s1 |
| InChIKey | GEKQJGLEOMQULV-PWJAENLDSA-N |
| Literature Reference Author | D.O.COLLINS,P.L.D.RUDDOCK,J.C.D.GRASSE,W.F.REYNOLDS,P.B.REES E |
| Literature Reference Citation | PHYTOCHEM.,59,479(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00486-1 |
| Molecular Weight | 500.719 g/mol |
| Solvent | CDCl3 |