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ACETYLATION-OF-TAXUMAIROL-K
SpectraBase Compound ID Lt5oyEjQ2qX
InChI InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-36(34(7,8)44)28(18)29(48-21(4)40)31(50-33(43)24-13-11-10-12-14-24)35(9)26(47-20(3)39)15-27-37(17-45-27,51-23(6)42)30(35)32(36)49-22(5)41/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37-/m0/s1
InChIKey YSVAIUPPYLUVJU-QHJBDEMPSA-N
Mol Weight 714.8 g/mol
Molecular Formula C37H46O14
Exact Mass 714.288756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OJFN77MZsd
Name ACETYLATION-OF-TAXUMAIROL-K
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46O14
InChI InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-36(34(7,8)44)28(18)29(48-21(4)40)31(50-33(43)24-13-11-10-12-14-24)35(9)26(47-20(3)39)15-27-37(17-45-27,51-23(6)42)30(35)32(36)49-22(5)41/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37-/m0/s1
InChIKey YSVAIUPPYLUVJU-QHJBDEMPSA-N
Literature Reference Author Y.C.SHEN,C.Y.CHEN,Y.H.KUO
Literature Reference Citation J.NAT.PROD.,61,838(1998)
Literature Reference DOI 10.1021/np970573y
Molecular Weight 714.764 g/mol
Solvent CDCl3
Source File Reference UWKP190