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1-BETA-HYDROXY-11-(R,S)-8-OXOEREMOPHIL-6,9-DIEN-12-AL;EPIMERIC_MIXTURE
SpectraBase Compound ID 86EP2tjIDVq
InChI InChI=1S/2C15H20O3/c2*1-9(8-16)11-7-15(3)10(2)4-5-13(17)12(15)6-14(11)18/h2*6-10,13,17H,4-5H2,1-3H3/t9-,10+,13-,15-;9-,10-,13+,15+/m10/s1
InChIKey JWJFZBOFIWGJRS-PTBOWRPUSA-N
Mol Weight 496.64 g/mol
Molecular Formula C30H40O6
Exact Mass 496.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Afd8RymMERi
Name 1-BETA-HYDROXY-11-(R,S)-8-OXOEREMOPHIL-6,9-DIEN-12-AL;EPIMERIC_MIXTURE
Compound Number 4A+4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O6
InChI InChI=1S/2C15H20O3/c2*1-9(8-16)11-7-15(3)10(2)4-5-13(17)12(15)6-14(11)18/h2*6-10,13,17H,4-5H2,1-3H3/t9-,10+,13-,15-;9-,10-,13+,15+/m10/s1
InChIKey JWJFZBOFIWGJRS-PTBOWRPUSA-N
Literature Reference Author Q.WANG,Q.MU,M.SHIBANO,S.L.MORRIS-NATSCHKE,K.H.LEE,D.F.CHEN
Literature Reference Citation J.NAT.PROD.,70,1259(2007)
Literature Reference DOI 10.1021/np070113x
Molecular Weight 496.644 g/mol
Sample ID 31372
Solvent CDCl3