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(-)-(1-S*,4-R*,10-R*)-1-HYDROXY-4-METHOXYCEMBRA-2-E,7-E,11-Z-TRIEN-20,10-OLIDE
SpectraBase Compound ID BhCIUNcS8mW
InChI InChI=1S/C21H32O4/c1-15(2)21(23)10-8-17-14-18(25-19(17)22)13-16(3)7-6-9-20(4,24-5)11-12-21/h7,11-12,14-15,18,23H,6,8-10,13H2,1-5H3/b12-11+,16-7+/t18-,20-,21-/m1/s1
InChIKey SNVXMOVBQLWNPN-ATPCUWRTSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dWFkBKunv0
Name (-)-(1-S*,4-R*,10-R*)-1-HYDROXY-4-METHOXYCEMBRA-2-E,7-E,11-Z-TRIEN-20,10-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-15(2)21(23)10-8-17-14-18(25-19(17)22)13-16(3)7-6-9-20(4,24-5)11-12-21/h7,11-12,14-15,18,23H,6,8-10,13H2,1-5H3/b12-11+,16-7+/t18-,20-,21-/m1/s1
InChIKey SNVXMOVBQLWNPN-ATPCUWRTSA-N
Literature Reference Author M.K.LANGAT,N.R.CROUCH,P.J.SMITH,D.A.MULHOLLAND
Literature Reference Citation J.NAT.PROD.,74,2349(2011)
Literature Reference DOI 10.1021/np2002012
Molecular Weight 348.483 g/mol
Sample ID 39513
Solvent CDCl3