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HETEROSCYPHIC-ACID-A;(12Z)-5,10-TRANS-CLERODA-3,12,14-TRIEN-20-OIC-ACID
SpectraBase Compound ID 5TwBjg8dZ6n
InChI InChI=1S/C20H30O2/c1-6-14(2)10-13-20(18(21)22)16(4)11-12-19(5)15(3)8-7-9-17(19)20/h6,8,10,16-17H,1,7,9,11-13H2,2-5H3,(H,21,22)/b14-10-/t16-,17+,19+,20-/m1/s1
InChIKey GYSCVVITPWEGKZ-LKSSOPPLSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pGdsYGiSs3
Name HETEROSCYPHIC-ACID-A;(12Z)-5,10-TRANS-CLERODA-3,12,14-TRIEN-20-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-6-14(2)10-13-20(18(21)22)16(4)11-12-19(5)15(3)8-7-9-17(19)20/h6,8,10,16-17H,1,7,9,11-13H2,2-5H3,(H,21,22)/b14-10-/t16-,17+,19+,20-/m1/s1
InChIKey GYSCVVITPWEGKZ-LKSSOPPLSA-N
Literature Reference Author K.NABETA,T.OOHATA,N.IZUMI,K.KATOH
Literature Reference Citation PHYTOCHEM.,37,1263(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90395-9
Molecular Weight 302.457 g/mol
Solvent CDCl3
Source File Reference UWMS23449