SpectraBase Compound ID | InrkowyARtt |
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InChI | InChI=1S/C29H36O12/c1-13(30)41-27-12-24(2)19(18(32)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)21(34)17(27)20(24)33/h7,9,11,15,17-19,21-22,32,34,36-37H,6,8,10,12H2,1-5H3/t15?,17-,18?,19+,21+,22+,24-,25+,26-,27+,28-,29+/m1/s1 |
InChIKey | BEEHSERCPMYOCS-LCHDJALRSA-N |
Mol Weight | 576.6 g/mol |
Molecular Formula | C29H36O12 |
Exact Mass | 576.220677 g/mol |
SpectraBase Spectrum ID | GFHBO3HIeHZ |
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Name | METHYL-1-ALPHA-ACETOXY-6,8-ALPHA,14-BETA,30-BETA-TETRAHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYClOMELIAC-7-OATE |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C29H36O12 |
InChI | InChI=1S/C29H36O12/c1-13(30)41-27-12-24(2)19(18(32)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)21(34)17(27)20(24)33/h7,9,11,15,17-19,21-22,32,34,36-37H,6,8,10,12H2,1-5H3/t15?,17-,18?,19+,21+,22+,24-,25+,26-,27+,28-,29+/m1/s1 |
InChIKey | BEEHSERCPMYOCS-LCHDJALRSA-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 | 576.598 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWPA432 |