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Taxumairol K
SpectraBase Compound ID 2jd3FYOk3UZ
InChI InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1
InChIKey IEMBQVLDTQOXFV-LPRGFTSCSA-N
Mol Weight 588.7 g/mol
Molecular Formula C31H40O11
Exact Mass 588.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlmqRY6W3Dx
Name TAXUMAIROL-K
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O11
InChI InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1
InChIKey IEMBQVLDTQOXFV-LPRGFTSCSA-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 588.652 g/mol
Solvent CDCl3
Source File Reference UWKP189