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PINOPHILIN_A;(7-S,8-S,8A-S)-8-HYDROXY-7-METHYL-6-OXO-3-[(1-E)-PROP-1-EN-1-YL]-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN
SpectraBase Compound ID BouzZrfclqy
InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
InChIKey JCQWLKQBYHSHOG-DAYKGMGPSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gb8cOH6I4I
Name PINOPHILIN_A;(7-S,8-S,8A-S)-8-HYDROXY-7-METHYL-6-OXO-3-[(1-E)-PROP-1-EN-1-YL]-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
InChIKey JCQWLKQBYHSHOG-DAYKGMGPSA-N
Literature Reference Author Y.MYOBATAKE,T.TAKEUCHI,K.KURAMOCHI,I.KURIYAMA,T.ISHIDO,K.HIR ANO,F.SUGAWARA,H.YOS
Literature Reference Citation J.NAT.PROD.,75,135(2012)
Literature Reference DOI 10.1021/np200523b
Molecular Weight 386.401 g/mol
Sample ID 39776
Solvent CDCl3