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NIGERNIN-B;(3S,4R)-CYATHA-12,18-DIENE-15-OIC-ACID

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NIGERNIN-B;(3S,4R)-CYATHA-12,18-DIENE-15-OIC-ACID
SpectraBase Compound ID iSFTdUMPcg
InChI InChI=1S/C20H30O2/c1-13(2)15-8-10-20(4)12-11-19(3)9-7-14(18(21)22)5-6-16(19)17(15)20/h7,15-17H,1,5-6,8-12H2,2-4H3,(H,21,22)/t15-,16-,17-,19-,20-/m1/s1
InChIKey PFAVBDISXGWGPS-UNNPPQAFSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rvRu2jYJvp
Name NIGERNIN-B;(3S,4R)-CYATHA-12,18-DIENE-15-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)15-8-10-20(4)12-11-19(3)9-7-14(18(21)22)5-6-16(19)17(15)20/h7,15-17H,1,5-6,8-12H2,2-4H3,(H,21,22)/t15-,16-,17-,19-,20-/m1/s1
InChIKey PFAVBDISXGWGPS-UNNPPQAFSA-N
Literature Reference Author S.T.FANG,L.ZHANG,Z.H.LI,B.LI,J.K.LIU
Literature Reference Citation CHEM.PHARM.BULL.,58,1176(2010)
Literature Reference DOI 10.1248/cpb.58.1176
Molecular Weight 302.457 g/mol
Source File Reference UWBT3767