| SpectraBase Compound ID | HBr6Fup1lPK |
|---|---|
| InChI | InChI=1S/C37H56O9/c1-21(38)44-20-34(7)29-26(41)18-36(9)28(33(29,6)19-27(45-22(2)39)30(34)46-23(3)40)12-11-24-25-17-32(4,5)13-15-37(25,31(42)43-10)16-14-35(24,36)8/h11,25-30,41H,12-20H2,1-10H3/t25-,26+,27+,28+,29+,30-,33+,34-,35+,36+,37-/m0/s1 |
| InChIKey | WETVEMBVURXCRQ-WTPLMPOUSA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C37H56O9 |
| Exact Mass | 644.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhEBtuAOtsR |
|---|---|
| Name | METHYL-TERMINOLATE-TRIACETATE;METHYL-2-ALPHA,3-BETA,23-TRIACETOXY-6-BETA-HYDROXY-OLEAN-12-EN-28-OATE |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56O9 |
| InChI | InChI=1S/C37H56O9/c1-21(38)44-20-34(7)29-26(41)18-36(9)28(33(29,6)19-27(45-22(2)39)30(34)46-23(3)40)12-11-24-25-17-32(4,5)13-15-37(25,31(42)43-10)16-14-35(24,36)8/h11,25-30,41H,12-20H2,1-10H3/t25-,26+,27+,28+,29+,30-,33+,34-,35+,36+,37-/m0/s1 |
| InChIKey | WETVEMBVURXCRQ-WTPLMPOUSA-N |
| Literature Reference Author | D.J.COLLINS,C.A.PILOTTI,A.F.A.WALLIS |
| Literature Reference Citation | PHYTOCHEM.,31,881(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80031-9 |
| Molecular Weight | 644.846 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4925 |