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(1R*,3S*,4R*,7S*,8S*,12R*,13R*)-12-HYDROXY-7-ISOTHIOCYANATOAMPHILECTA-11(20),14-DIENE
SpectraBase Compound ID 99TJpurah13
InChI InChI=1S/C21H31NOS/c1-13(2)10-16-11-14(3)17-8-9-20(5,22-12-24)18-7-6-15(4)21(16,23)19(17)18/h10,14,16-19,23H,4,6-9,11H2,1-3,5H3/t14-,16-,17+,18-,19+,20-,21+/m1/s1
InChIKey DLCCUDJOTKFLKO-LEBIRVMPSA-N
Mol Weight 345.55 g/mol
Molecular Formula C21H31NOS
Exact Mass 345.212636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DucMBEIPi6s
Name (1R*,3S*,4R*,7S*,8S*,12R*,13R*)-12-HYDROXY-7-ISOTHIOCYANATOAMPHILECTA-11(20),14-DIENE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NOS
InChI InChI=1S/C21H31NOS/c1-13(2)10-16-11-14(3)17-8-9-20(5,22-12-24)18-7-6-15(4)21(16,23)19(17)18/h10,14,16-19,23H,4,6-9,11H2,1-3,5H3/t14-,16-,17+,18-,19+,20-,21+/m1/s1
InChIKey DLCCUDJOTKFLKO-LEBIRVMPSA-N
Literature Reference Author G.M.KOENIG,A.D.WRIGHT,C.K.ANGERHOFER
Literature Reference Citation J.ORG.CHEM.,61,3259(1996)
Literature Reference DOI 10.1021/jo952015z
Molecular Weight 345.543 g/mol
Solvent CDCl3
Source File Reference WANG1739