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Thromoboxane B2 methyl ester 9,11,15-triacetate

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Thromoboxane B2 methyl ester 9,11,15-triacetate
SpectraBase Compound ID K1BRCocmacy
InChI InChI=1S/C27H42O9/c1-6-7-10-13-22(33-19(2)28)16-17-24-23(14-11-8-9-12-15-26(31)32-5)25(34-20(3)29)18-27(36-24)35-21(4)30/h8,11,16-17,22-25,27H,6-7,9-10,12-15,18H2,1-5H3/b11-8-,17-16+
InChIKey YYLAYCCLLKZFIM-PBGGQYOTSA-N
Mol Weight 510.6 g/mol
Molecular Formula C27H42O9
Exact Mass 510.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49RT3BK8s3A
Name Thromoboxane B2 methyl ester 9,11,15-triacetate
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Formula C27H42O9
InChI InChI=1S/C27H42O9/c1-6-7-10-13-22(33-19(2)28)16-17-24-23(14-11-8-9-12-15-26(31)32-5)25(34-20(3)29)18-27(36-24)35-21(4)30/h8,11,16-17,22-25,27H,6-7,9-10,12-15,18H2,1-5H3/b11-8-,17-16+
InChIKey YYLAYCCLLKZFIM-PBGGQYOTSA-N
Literature Reference S.S. Bhagwat, P.R. Hamann, W.C.Still, J. Am. Chem. Soc. 107, 6372 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3