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(3R,8R,9S,10R/S)-9-Acetoxy-10,11-dihydro-10,11-dihydroxy-6'-methoxycinchonane
SpectraBase Compound ID 2ri3tkeNCYE
InChI InChI=1S/C22H28N2O5/c1-13(26)29-22(16-5-7-23-19-4-3-15(28-2)10-17(16)19)20-9-14-6-8-24(20)11-18(14)21(27)12-25/h3-5,7,10,14,18,20-22,25,27H,6,8-9,11-12H2,1-2H3/t14?,18?,20?,21-,22+/m0/s1
InChIKey UCPMWVWWVGBSHJ-WJBJSTBESA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlVFOgkIGfW
Name (3R,8R,9S,10R/S)-9-Acetoxy-10,11-dihydro-10,11-dihydroxy-6'-methoxycinchonane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-13(26)29-22(16-5-7-23-19-4-3-15(28-2)10-17(16)19)20-9-14-6-8-24(20)11-18(14)21(27)12-25/h3-5,7,10,14,18,20-22,25,27H,6,8-9,11-12H2,1-2H3/t14?,18?,20?,21-,22+/m0/s1
InChIKey UCPMWVWWVGBSHJ-WJBJSTBESA-N
Molecular Weight 400.475 g/mol
SMILES O[C@@](CO)(C1CN2C([C@@](c3c4c(ccc(c4)OC)ncc3)(OC(=O)C)[H])CC1CC2)[H]
SPLASH splash10-0fk9-1915200000-76731633a4f412fb60c4
Source of Spectrum F-54-3509-11
Synonyms (9R,10R)-10,11-dihydroxy-6'-methoxy-10,11-dihydrocinchonan-9-yl acetate
Wiley ID 806432