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(13-Z,15-E,17-E,22-E)-3-ALPHA-29-DIHYDROXY-12-OXOISOMALABARICA-13,15,17,22,24-PENTAENE
SpectraBase Compound ID nESeCc9FtW
InChI InChI=1S/C30H44O3/c1-20(2)10-8-11-21(3)12-9-13-22(4)27-23(32)18-25-28(5)17-15-26(33)30(7,19-31)24(28)14-16-29(25,27)6/h8-13,24-26,31,33H,14-19H2,1-7H3/b11-8+,13-9+,21-12+,27-22+/t24-,25+,26-,28+,29+,30-/m1/s1
InChIKey MDQDLERKDZJSCM-BYBVMEJRSA-N
Mol Weight 452.7 g/mol
Molecular Formula C30H44O3
Exact Mass 452.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KH3hEEt2hwf
Name (13-Z,15-E,17-E,22-E)-3-ALPHA-29-DIHYDROXY-12-OXOISOMALABARICA-13,15,17,22,24-PENTAENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O3
InChI InChI=1S/C30H44O3/c1-20(2)10-8-11-21(3)12-9-13-22(4)27-23(32)18-25-28(5)17-15-26(33)30(7,19-31)24(28)14-16-29(25,27)6/h8-13,24-26,31,33H,14-19H2,1-7H3/b11-8+,13-9+,21-12+,27-22+/t24-,25+,26-,28+,29+,30-/m1/s1
InChIKey MDQDLERKDZJSCM-BYBVMEJRSA-N
Literature Reference Author J.A.CLEMENT,M.LI,S.M.HECHT,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,69,373(2006)
Literature Reference DOI 10.1021/np0504107
Molecular Weight 452.678 g/mol
Solvent CDCl3
Source File Reference UWMZ18100