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TAXA-4(20),11-DIENE-1-BETA,5-ALPHA,7-BETA,9-ALPHA,10-BETA,13-ALPHA-HEXAOL-9-ALPHA,10-BETA-DIACETATE-7-BETA-BENZOATE
SpectraBase Compound ID 4uGJhvZZyoH
InChI InChI=1S/C31H40O9/c1-16-21-14-31(37)15-23(35)17(2)25(29(31,5)6)26(38-18(3)32)27(39-19(4)33)30(21,7)24(13-22(16)34)40-28(36)20-11-9-8-10-12-20/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1
InChIKey SKQPVKXPKGSOFP-GPOPEEISSA-N
Mol Weight 556.7 g/mol
Molecular Formula C31H40O9
Exact Mass 556.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXjoKbvGBdT
Name TAXA-4(20),11-DIENE-1-BETA,5-ALPHA,7-BETA,9-ALPHA,10-BETA,13-ALPHA-HEXAOL-9-ALPHA,10-BETA-DIACETATE-7-BETA-BENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O9
InChI InChI=1S/C31H40O9/c1-16-21-14-31(37)15-23(35)17(2)25(29(31,5)6)26(38-18(3)32)27(39-19(4)33)30(21,7)24(13-22(16)34)40-28(36)20-11-9-8-10-12-20/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1
InChIKey SKQPVKXPKGSOFP-GPOPEEISSA-N
Literature Reference Author F.BALZA,S.TACHIBANA,H.BARRIOS,G.H.N.TOWERS
Literature Reference Citation PHYTOCHEM.,30,1613(1991)
Literature Reference DOI 10.1016/0031-9422(91)84218-H
Molecular Weight 556.653 g/mol
Solvent CD2Cl2
Source File Reference UWMS26100