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(1S*,3E,5R*,7Z,11S*,12S*)-5-ACETOXY-12-HYDROXYDO-LABELLA-3,7-DIEN-9-ONE
SpectraBase Compound ID 8kvF7D9rGZL
InChI InChI=1S/C22H34O4/c1-14(2)22(25)12-11-21(6)10-9-16(4)19(26-17(5)23)8-7-15(3)18(24)13-20(21)22/h7,9,14,19-20,25H,8,10-13H2,1-6H3/b15-7-,16-9+/t19-,20+,21-,22+/m1/s1
InChIKey LLFWQKZULMFCLD-OWZJZHLBSA-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 Ap48s3G7Tml
Name (1S*,3E,5R*,7Z,11S*,12S*)-5-ACETOXY-12-HYDROXYDO-LABELLA-3,7-DIEN-9-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(2)22(25)12-11-21(6)10-9-16(4)19(26-17(5)23)8-7-15(3)18(24)13-20(21)22/h7,9,14,19-20,25H,8,10-13H2,1-6H3/b15-7-,16-9+/t19-,20+,21-,22+/m1/s1
InChIKey LLFWQKZULMFCLD-OWZJZHLBSA-N
Literature Reference Author C.B.RAO,G.TRIMURTULU,C.SREEDHARA,D.V.RAO,S.C.BOBZIN,D.J.FAUL KNER
Literature Reference Citation PHYTOCHEM.,37,509(1994)
Literature Reference DOI 10.1016/0031-9422(94)85089-5
Molecular Weight 362.510 g/mol
Solvent CDCl3
Source File Reference UWMS22978