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3-BETA-ANGELOYLOXY-8-OXOEREMOPHIL-6-(7)-ENE-12,15-DIOIC_ACID_METHYLESTER
SpectraBase Compound ID 9prp2j5Ghgw
InChI InChI=1S/C22H30O7/c1-7-12(2)19(24)29-17-9-8-14-10-16(23)15(13(3)20(25)27-5)11-22(14,4)18(17)21(26)28-6/h7,11,13-14,17-18H,8-10H2,1-6H3/b12-7-/t13?,14-,17+,18-,22+/m1/s1
InChIKey DDHBCBRLTQJJBD-VMUMOGIRSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFmHEQRBFYY
Name 3-BETA-ANGELOYLOXY-8-OXOEREMOPHIL-6-(7)-ENE-12,15-DIOIC_ACID_METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-7-12(2)19(24)29-17-9-8-14-10-16(23)15(13(3)20(25)27-5)11-22(14,4)18(17)21(26)28-6/h7,11,13-14,17-18H,8-10H2,1-6H3/b12-7-/t13?,14-,17+,18-,22+/m1/s1
InChIKey DDHBCBRLTQJJBD-VMUMOGIRSA-N
Literature Reference Author D.Q.FEI,S.G.LI,C.M.LIU,G.WU,K.GAO
Literature Reference Citation J.NAT.PROD.,70,241(2007)
Literature Reference DOI 10.1021/np060304k
Molecular Weight 406.476 g/mol
Sample ID 29637
Solvent CDCl3