SpectraBase Compound ID | 2GKE90d8KBm |
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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+/m1/s1 |
InChIKey | JKZNLZAGGSTXMB-OJQSUMAJSA-N |
Mol Weight | 578.6 g/mol |
Molecular Formula | C29H38O12 |
Exact Mass | 578.236327 g/mol |
SpectraBase Spectrum ID | C5Nei1j1lCr |
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Name | METHYL-1-ALPHA-ACETOXY-2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-PENTAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYLOMELIAC-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+/m1/s1 |
InChIKey | JKZNLZAGGSTXMB-OJQSUMAJSA-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.J.MARSAIOLI,A.L.P |
Literature Reference Citation | PHYTOCHEM.,42,831(1996) |
Literature Reference DOI | 10.1016/0031-9422(95)00093-3 |
Molecular Weight | 578.614 g/mol |
Solvent | CDCl3:DMSO-D6 |
Source File Reference | UWLU3616 |