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Thromoboxane B2 methyl ester 9,15-diacetate

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Thromoboxane B2 methyl ester 9,15-diacetate
SpectraBase Compound ID HdpLZATNxB4
InChI InChI=1S/C25H40O8/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(13-10-7-8-11-14-24(28)30-4)23(32-19(3)27)17-25(29)33-22/h7,10,15-16,20-23,25,29H,5-6,8-9,11-14,17H2,1-4H3/b10-7-,16-15+
InChIKey IYKDDXLDJFSBPZ-NTZQAAQGSA-N
Mol Weight 468.6 g/mol
Molecular Formula C25H40O8
Exact Mass 468.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mCTeZFwsDp
Name Thromoboxane B2 methyl ester 9,15-diacetate
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Formula C25H40O8
InChI InChI=1S/C25H40O8/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(13-10-7-8-11-14-24(28)30-4)23(32-19(3)27)17-25(29)33-22/h7,10,15-16,20-23,25,29H,5-6,8-9,11-14,17H2,1-4H3/b10-7-,16-15+
InChIKey IYKDDXLDJFSBPZ-NTZQAAQGSA-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