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ACUTISSIMATRITERPENE_E
SpectraBase Compound ID DIFcvkXvPwD
InChI InChI=1S/C40H52O9/c1-34(44-5)17-40(48-19-34)32(42)31(33(43)49-40)24-9-13-39-18-38(24,39)12-10-28-35(2)11-8-23-15-26(22-6-7-25-27(14-22)47-21-46-25)45-20-36(23,3)29(35)16-30(41)37(28,39)4/h6-8,14,24,26,28-32,41-42H,9-13,15-21H2,1-5H3/t24-,26-,28+,29+,30+,31+,32+,34-,35+,36-,37-,38+,39+,40+/m0/s1
InChIKey MQFUFTKXYPLXSO-XMBPZTTFSA-N
Mol Weight 676.8 g/mol
Molecular Formula C40H52O9
Exact Mass 676.361133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXXxt0VaT2h
Name ACUTISSIMATRITERPENE_E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52O9
InChI InChI=1S/C40H52O9/c1-34(44-5)17-40(48-19-34)32(42)31(33(43)49-40)24-9-13-39-18-38(24,39)12-10-28-35(2)11-8-23-15-26(22-6-7-25-27(14-22)47-21-46-25)45-20-36(23,3)29(35)16-30(41)37(28,39)4/h6-8,14,24,26,28-32,41-42H,9-13,15-21H2,1-5H3/t24-,26-,28+,29+,30+,31+,32+,34-,35+,36-,37-,38+,39+,40+/m0/s1
InChIKey MQFUFTKXYPLXSO-XMBPZTTFSA-N
Literature Reference Author P.TUCHINDA,J.KORNSAKULKARN,M.POHMAKOTR,P.KONGSAEREE,S.PRABPA I,C.YOOSOK,J.KASISIT
Literature Reference Citation J.NAT.PROD.,71,655(2008)
Literature Reference DOI 10.1021/np7007347
Molecular Weight 676.847 g/mol
Sample ID 28149
Solvent CDCl3