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2-ALPHA-ACETOXY-5-ALPHA-CINNAMOYLOXY-9-ALPHA,10-BETA-DIHYDROXYTAXA-4(20),11-DIEN-13-ONE
SpectraBase Compound ID CnsoAIcTpUm
InChI InChI=1S/C31H38O7/c1-17-22(33)16-21-28(37-19(3)32)26-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-31(26,6)29(36)27(35)25(17)30(21,4)5/h7-13,21,23,26-29,35-36H,2,14-16H2,1,3-6H3/b13-12+/t21-,23-,26-,27+,28+,29-,31+/m0/s1
InChIKey VINWCUNFNJBSQA-IRZWYNESSA-N
Mol Weight 522.6 g/mol
Molecular Formula C31H38O7
Exact Mass 522.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmSBuM0Hpxt
Name 9-ALPHA,10-BETA-DIHYDROXY-2-ALPHA-ACETOXY-5-ALPHA-CINNAMOYLOXY-TAXA-4(20),11-DIENE-13-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O7
InChI InChI=1S/C31H38O7/c1-17-22(33)16-21-28(37-19(3)32)26-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-31(26,6)29(36)27(35)25(17)30(21,4)5/h7-13,21,23,26-29,35-36H,2,14-16H2,1,3-6H3/b13-12+/t21-,23-,26-,27+,28+,29-,31+/m0/s1
InChIKey VINWCUNFNJBSQA-IRZWYNESSA-N
Literature Reference Author Q.W.SHI,F.SAURIOL,O.MAMER,L.O.ZAMIR
Literature Reference Citation BIOORG.MED.CHEM.,11,293(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00347-4
Molecular Weight 522.639 g/mol
Sample ID 38465
Solvent CDCl3