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CRASSUMOL-B;[2S*,7S*,8R*,11S*,12R*,(3E)]-8,12-DIHYDROXY-7,11:2,16-BISEPOXY-CEMBRA-1(15),3-DIENE
SpectraBase Compound ID JK2KKbZu2vC
InChI InChI=1S/C20H32O4/c1-13-5-6-17-20(4,22)10-8-18(24-17)19(3,21)9-7-15-14(2)12-23-16(15)11-13/h11,16-18,21-22H,5-10,12H2,1-4H3/b13-11+/t16-,17-,18-,19+,20+/m0/s1
InChIKey VUVMCACERNBHPG-LZAZQNSHSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ijm0rdeOcp6
Name CRASSUMOL-B;[2S*,7S*,8R*,11S*,12R*,(3E)]-8,12-DIHYDROXY-7,11:2,16-BISEPOXY-CEMBRA-1(15),3-DIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-13-5-6-17-20(4,22)10-8-18(24-17)19(3,21)9-7-15-14(2)12-23-16(15)11-13/h11,16-18,21-22H,5-10,12H2,1-4H3/b13-11+/t16-,17-,18-,19+,20+/m0/s1
InChIKey VUVMCACERNBHPG-LZAZQNSHSA-N
Literature Reference Author S.T.LIN,S.K.WANG,C.Y.DUH
Literature Reference Citation MAR.DRUGS,9,2705(2011)
Literature Reference DOI 10.3390/md9122705
Molecular Weight 336.472 g/mol
Source File Reference UWBT7079