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(+)-(1-S*,4-S*,7-R*,10-R*)-7-ACETOXY-1,4-DIHYDROXYCEMBRA-2-E,8-(19),11-Z-TRIEN-20,10-OLIDE
SpectraBase Compound ID Gua9cNYpC82
InChI InChI=1S/C22H32O6/c1-14(2)22(26)9-6-17-13-18(28-20(17)24)12-15(3)19(27-16(4)23)7-8-21(5,25)10-11-22/h10-11,13-14,18-19,25-26H,3,6-9,12H2,1-2,4-5H3/b11-10+/t18-,19-,21+,22-/m1/s1
InChIKey RSJMCYXPPOHMKE-GWXVYRPJSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WxUwu1vElV
Name (+)-(1-S*,4-S*,7-R*,10-R*)-7-ACETOXY-1,4-DIHYDROXYCEMBRA-2-E,8-(19),11-Z-TRIEN-20,10-OLIDE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-14(2)22(26)9-6-17-13-18(28-20(17)24)12-15(3)19(27-16(4)23)7-8-21(5,25)10-11-22/h10-11,13-14,18-19,25-26H,3,6-9,12H2,1-2,4-5H3/b11-10+/t18-,19-,21+,22-/m1/s1
InChIKey RSJMCYXPPOHMKE-GWXVYRPJSA-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 392.492 g/mol
Sample ID 39520
Solvent CDCl3