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(1R,3S,4S,7S,11S,12S,14S)-14-ACETOXY-3,4-EPOXY-7-HYDROXY-8(17),18-DOLABELLATRIENE
SpectraBase Compound ID 1fNIsC258ft
InChI InChI=1S/C22H34O4/c1-13(2)16-11-19(25-15(4)23)21(5)12-20-22(6,26-20)10-9-18(24)14(3)7-8-17(16)21/h16-20,24H,1,3,7-12H2,2,4-6H3/t16-,17+,18+,19+,20+,21-,22+/m1/s1
InChIKey XPUKBYCPQHTOBB-BHMKJSQQSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hbwv5tIsZ2
Name (1R,3S,4S,7S,11S,12S,14S)-14-ACETOXY-3,4-EPOXY-7-HYDROXY-8(17),18-DOLABELLATRIENE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-13(2)16-11-19(25-15(4)23)21(5)12-20-22(6,26-20)10-9-18(24)14(3)7-8-17(16)21/h16-20,24H,1,3,7-12H2,2,4-6H3/t16-,17+,18+,19+,20+,21-,22+/m1/s1
InChIKey XPUKBYCPQHTOBB-BHMKJSQQSA-N
Literature Reference Author E.IOANNOU,A.QUESADA,M.M.RAHMAN,S.GIBBONS,C.VAGIAS,V.ROUSSIS
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5177(2012)
Literature Reference DOI 10.1002/ejoc.201200533
Molecular Weight 362.510 g/mol
Solvent CDCl3
Source File Reference UWLU84069