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TAXUSABIETANE-E;7-BETA-ACETOXY-3-BETA,20-EPOXY-3-ALPHA,11,12-TRIHYDROXYABIETA-8,11,13-TRIENE-12-(2,3,4,6-O-TETRAACETYL-BETA-GLUCOPYRANOSIDE)

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TAXUSABIETANE-E;7-BETA-ACETOXY-3-BETA,20-EPOXY-3-ALPHA,11,12-TRIHYDROXYABIETA-8,11,13-TRIENE-12-(2,3,4,6-O-TETRAACETYL-BETA-GLUCOPYRANOSIDE)
SpectraBase Compound ID 91INLyW3B8
InChI InChI=1S/C36H48O15/c1-16(2)22-12-23-24(46-18(4)38)13-26-34(8,9)36(43)11-10-35(26,15-45-36)27(23)28(42)29(22)51-33-32(49-21(7)41)31(48-20(6)40)30(47-19(5)39)25(50-33)14-44-17(3)37/h12,16,24-26,30-33,42-43H,10-11,13-15H2,1-9H3/t24-,25-,26-,30-,31+,32-,33+,35+,36+/m0/s1
InChIKey KJSXTSKECSXGTJ-XKJMWWIXSA-N
Mol Weight 720.8 g/mol
Molecular Formula C36H48O15
Exact Mass 720.299321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68PqxTzODba
Name TAXUSABIETANE-E;7-BETA-ACETOXY-3-BETA,20-EPOXY-3-ALPHA,11,12-TRIHYDROXYABIETA-8,11,13-TRIENE-12-(2,3,4,6-O-TETRAACETYL-BETA-GLUCOPYRANOSIDE)
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48O15
InChI InChI=1S/C36H48O15/c1-16(2)22-12-23-24(46-18(4)38)13-26-34(8,9)36(43)11-10-35(26,15-45-36)27(23)28(42)29(22)51-33-32(49-21(7)41)31(48-20(6)40)30(47-19(5)39)25(50-33)14-44-17(3)37/h12,16,24-26,30-33,42-43H,10-11,13-15H2,1-9H3/t24-,25-,26-,30-,31+,32-,33+,35+,36+/m0/s1
InChIKey KJSXTSKECSXGTJ-XKJMWWIXSA-N
Literature Reference Author S.J.YANG,J.M.FANG,Y.S.CHENG
Literature Reference Citation PHYTOCHEM.,49,2037(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00443-9
Molecular Weight 720.768 g/mol
Solvent CDCl3
Source File Reference UWLU842