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PINOPHILIN_B;(7-S,8-S,8A-S)-7-HYDROXY-3-[(1-E)-3-HYDROXYPROP-1-EN-1YL]-7-METHYL-6-OXO-6,7,8,8A-TETRAHYDRO
SpectraBase Compound ID 8e1kWDnqX1L
InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
InChIKey KKSKNERURMTALE-XWEVTOJWSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9pUF3AF95s
Name PINOPHILIN_B;(7-S,8-S,8A-S)-7-HYDROXY-3-[(1-E)-3-HYDROXYPROP-1-EN-1YL]-7-METHYL-6-OXO-6,7,8,8A-TETRAHYDRO
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
InChIKey KKSKNERURMTALE-XWEVTOJWSA-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 402.401 g/mol
Sample ID 39777
Solvent CD3OD