![METHYL-1-ALPHA-ACETOXY-3-BETA,6,8-ALPHA-TRIHYDROXY-2-ALPHA-METHOXY-2-BETA,14-BETA-EPOXY-[4.2.1(10,30).1(1,4)]-TRICYClOMELIAC-7-OATE](/api/spectrum/2e9lBQEaF8g/structure.png?h=300&w=458 "METHYL-1-ALPHA-ACETOXY-3-BETA,6,8-ALPHA-TRIHYDROXY-2-ALPHA-METHOXY-2-BETA,14-BETA-EPOXY-[4.2.1(10,30).1(1,4)]-TRICYClOMELIAC-7-OATE")
| SpectraBase Compound ID | C9s39vQaQ8K |
|---|---|
| InChI | InChI=1S/C30H38O12/c1-14(31)41-27-13-24(2)19(18(33)21(34)37-5)26(27,4)16-7-9-25(3)20(15-8-10-39-12-15)40-17(32)11-28(25)29(16,36)22(27)30(38-6,42-28)23(24)35/h8,10,12,16,18-20,22-23,33,35-36H,7,9,11,13H2,1-6H3/t16?,18?,19-,20-,22-,23-,24+,25-,26+,27?,28+,29-,30+/m0/s1 |
| InChIKey | LTIVEUMKJFYIQE-RQHMWNSFSA-N |
| Mol Weight | 590.6 g/mol |
| Molecular Formula | C30H38O12 |
| Exact Mass | 590.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2e9lBQEaF8g |
|---|---|
| Name | METHYL-1-ALPHA-ACETOXY-3-BETA,6,8-ALPHA-TRIHYDROXY-2-ALPHA-METHOXY-2-BETA,14-BETA-EPOXY-[4.2.1(10,30).1(1,4)]-TRICYClOMELIAC-7-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O12 |
| InChI | InChI=1S/C30H38O12/c1-14(31)41-27-13-24(2)19(18(33)21(34)37-5)26(27,4)16-7-9-25(3)20(15-8-10-39-12-15)40-17(32)11-28(25)29(16,36)22(27)30(38-6,42-28)23(24)35/h8,10,12,16,18-20,22-23,33,35-36H,7,9,11,13H2,1-6H3/t16?,18?,19-,20-,22-,23-,24+,25-,26+,27?,28+,29-,30+/m0/s1 |
| InChIKey | LTIVEUMKJFYIQE-RQHMWNSFSA-N |
| Literature Reference Author | L.R.V.OLMO,M.F.D.G.F.D.SILVA,E.R.FO,P.C.VIEIRA,J.B.FERNANDES ,A.L.PINHEIRO,E.F.VI |
| Literature Reference Citation | PHYTOCHEM.,44,1157(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00571-7 |
| Molecular Weight | 590.625 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA431 |