![METHYL-1-ALPHA-ACETOXY-2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-PENTAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYClOMELIAC-7-OATE](/api/spectrum/GDHKNsPPQor/structure.png?h=300&w=458 "METHYL-1-ALPHA-ACETOXY-2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-PENTAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYClOMELIAC-7-OATE")
| SpectraBase Compound ID | 67BjJtEADsN |
|---|---|
| InChI | InChI=1S/C29H38O12/c1-13(30)41-27-12-24(2)19(18(33)23(35)38-5)26(27,4)15-6-8-25(3)22(14-7-9-39-11-14)40-16(31)10-28(25,36)29(15,37)20(27)17(32)21(24)34/h7,9,11,15,17-22,32-34,36-37H,6,8,10,12H2,1-5H3/t15?,17-,18?,19-,20-,21-,22-,24+,25-,26+,27?,28+,29-/m0/s1 |
| InChIKey | JKZNLZAGGSTXMB-IOMWOFALSA-N |
| Mol Weight | 578.6 g/mol |
| Molecular Formula | C29H38O12 |
| Exact Mass | 578.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDHKNsPPQor |
|---|---|
| Name | METHYL-1-ALPHA-ACETOXY-2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-PENTAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYClOMELIAC-7-OATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O12 |
| InChI | InChI=1S/C29H38O12/c1-13(30)41-27-12-24(2)19(18(33)23(35)38-5)26(27,4)15-6-8-25(3)22(14-7-9-39-11-14)40-16(31)10-28(25,36)29(15,37)20(27)17(32)21(24)34/h7,9,11,15,17-22,32-34,36-37H,6,8,10,12H2,1-5H3/t15?,17-,18?,19-,20-,21-,22-,24+,25-,26+,27?,28+,29-/m0/s1 |
| InChIKey | JKZNLZAGGSTXMB-IOMWOFALSA-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 | 578.614 g/mol |
| Solvent | Unknown |
| Source File Reference | UWPA433 |