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(1S,3S,4R,7E,12S,13R,14R)-3,4,13-trihydroxy-4,8,12-trimethyl-17-methylidene-15-oxabicyclo[12.3.0]heptadec-7-en-16-one
SpectraBase Compound ID Jnbnq5QREd
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(22)18-15(14(3)19(23)25-18)11-16(21)20(4,24)10-6-8-12/h8,13,15-18,21-22,24H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15-,16-,17+,18+,20+/m0/s1
InChIKey GMCDNBZHHIDFQL-JJFWNEBZSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69Bsa7qhqpR
Name (1S,3S,4R,7E,12S,13R,14R)-3,4,13-trihydroxy-4,8,12-trimethyl-17-methylidene-15-oxabicyclo[12.3.0]heptadec-7-en-16-one
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(22)18-15(14(3)19(23)25-18)11-16(21)20(4,24)10-6-8-12/h8,13,15-18,21-22,24H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15-,16-,17+,18+,20+/m0/s1
InChIKey GMCDNBZHHIDFQL-JJFWNEBZSA-N
Literature Reference Author A.D.RODRIGUEZ,I.C.PINA,A.L.ACOSTA,C.RAMIREZ,J.J.SOTO
Literature Reference Citation J.ORG.CHEM.,66,648(2001)
Literature Reference DOI 10.1021/jo001025j
Molecular Weight 352.471 g/mol
Solvent CDCl3
Source File Reference UWMS27550