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ISOABIETENIN_C;3-ALPHA,8-ALPHA-DIHYDROXY-1-BETA,7-ALPHA,11-ALPHA-TRIACETOXY-6,16-DIOXOABIETA-15-ENE
SpectraBase Compound ID 3Q1YJEJVu3P
InChI InChI=1S/C26H36O10/c1-12(11-27)16-8-17(34-13(2)28)21-25(7)19(35-14(3)29)9-18(31)24(5,6)22(25)20(32)23(36-15(4)30)26(21,33)10-16/h11,16-19,21-23,31,33H,1,8-10H2,2-7H3/t16-,17+,18+,19+,21+,22-,23+,25+,26-/m0/s1
InChIKey BZYCORRPHLCSFE-GCDOHVERSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H36O10
Exact Mass 508.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFbSGH13GSu
Name ISOABIETENIN_C;3-ALPHA,8-ALPHA-DIHYDROXY-1-BETA,7-ALPHA,11-ALPHA-TRIACETOXY-6,16-DIOXOABIETA-15-ENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O10
InChI InChI=1S/C26H36O10/c1-12(11-27)16-8-17(34-13(2)28)21-25(7)19(35-14(3)29)9-18(31)24(5,6)22(25)20(32)23(36-15(4)30)26(21,33)10-16/h11,16-19,21-23,31,33H,1,8-10H2,2-7H3/t16-,17+,18+,19+,21+,22-,23+,25+,26-/m0/s1
InChIKey BZYCORRPHLCSFE-GCDOHVERSA-N
Literature Reference Author J.H.YANG,X.DU,F.HE,H.B.ZHANG,X.N.LI,J.SU,Y.LI,J.X.PU,H.D.SUN
Literature Reference Citation J.NAT.PROD.,76,256(2013)
Literature Reference DOI 10.1021/np300772e
Molecular Weight 508.566 g/mol
Sample ID 42206
Solvent DMSO-D6