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#16A;(22E)-(1S,3R,20S,24R)-24A,24B-DIHOMO-5,7,22-CHOLESTATRIENE-1,3,24,25-TETROL-1,3-BIS-(METHYL-CARBONATE)-25-METHOXYMETHYLETHER-24-[(R)-METHOXY-(TRIFLUOROMET

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#16A;(22E)-(1S,3R,20S,24R)-24A,24B-DIHOMO-5,7,22-CHOLESTATRIENE-1,3,24,25-TETROL-1,3-BIS-(METHYL-CARBONATE)-25-METHOXYMETHYLETHER-24-[(R)-METHOXY-(TRIFLUOROMET
SpectraBase Compound ID bcupRQptNk
InChI InChI=1S/C45H61F3O11/c1-28(15-17-31(21-23-41(2,3)56-27-52-6)57-38(49)44(55-9,45(46,47)48)29-13-11-10-12-14-29)34-19-20-35-33-18-16-30-25-32(58-39(50)53-7)26-37(59-40(51)54-8)43(30,5)36(33)22-24-42(34,35)4/h10-18,28,31-32,34-37H,19-27H2,1-9H3/b17-15+/t28-,31+,32-,34-,35+,36+,37+,42?,43?,44-/m1/s1
InChIKey YTXJYPCJYFASME-HOEOICSGSA-N
Mol Weight 835.0 g/mol
Molecular Formula C45H61F3O11
Exact Mass 834.416597 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwVrwTpswmM
Name #16A;(22E)-(1S,3R,20S,24R)-24A,24B-DIHOMO-5,7,22-CHOLESTATRIENE-1,3,24,25-TETROL-1,3-BIS-(METHYL-CARBONATE)-25-METHOXYMETHYLETHER-24-[(R)-METHOXY-(TRIFLUOROMET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H61F3O11
InChI InChI=1S/C45H61F3O11/c1-28(15-17-31(21-23-41(2,3)56-27-52-6)57-38(49)44(55-9,45(46,47)48)29-13-11-10-12-14-29)34-19-20-35-33-18-16-30-25-32(58-39(50)53-7)26-37(59-40(51)54-8)43(30,5)36(33)22-24-42(34,35)4/h10-18,28,31-32,34-37H,19-27H2,1-9H3/b17-15+/t28-,31+,32-,34-,35+,36+,37+,42?,43?,44-/m1/s1
InChIKey YTXJYPCJYFASME-HOEOICSGSA-N
Literature Reference Author H.MASUNO,K.YAMAMOTO,X.WANG,M.CHOI,H.OOIZUMI
Literature Reference Citation J.MED.CHEM.,45,1825(2002)
Literature Reference DOI 10.1021/jm0105631
Solvent CDCl3
Source File Reference UWLU64325