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(1.alpha.,2.beta.,3.beta.,5.beta.)-(.+-.)-N-[3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-[[(4-methoxyphenyl)diphenylmethoxy]methyl]cyclopentyl]methanesulfonamide
SpectraBase Compound ID J2sm9DeGUGG
InChI InChI=1S/C34H38N6O5S/c1-39(2)32-30-33(36-21-35-32)40(22-37-30)28-19-23(29(31(28)41)38-46(4,42)43)20-45-34(24-11-7-5-8-12-24,25-13-9-6-10-14-25)26-15-17-27(44-3)18-16-26/h5-18,21-23,28-29,31,38,41H,19-20H2,1-4H3/t23-,28-,29-,31-/m0/s1
InChIKey UGQIPLSBLKUUAJ-XSSULDTOSA-N
Mol Weight 642.8 g/mol
Molecular Formula C34H38N6O5S
Exact Mass 642.26244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26Fpa1ld0C
Name (1.alpha.,2.beta.,3.beta.,5.beta.)-(.+-.)-N-[3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-[[(4-methoxyphenyl)diphenylmethoxy]methyl]cyclopentyl]methanesulfonamide
CAS Registry Number 65942-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38N6O5S
InChI InChI=1S/C34H38N6O5S/c1-39(2)32-30-33(36-21-35-32)40(22-37-30)28-19-23(29(31(28)41)38-46(4,42)43)20-45-34(24-11-7-5-8-12-24,25-13-9-6-10-14-25)26-15-17-27(44-3)18-16-26/h5-18,21-23,28-29,31,38,41H,19-20H2,1-4H3/t23-,28-,29-,31-/m0/s1
InChIKey UGQIPLSBLKUUAJ-XSSULDTOSA-N
Molecular Weight 642.775 g/mol
SMILES N(S(=O)(=O)C)[C@@]1([C@]([C@](C[C@]1(COC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1)[H])([n]1c2c(c(N(C)C)ncn2)nc1)[H])(O)[H])[H]
SPLASH splash10-03k9-0950000000-534e6e3006de61d360bd
Source of Spectrum J-43-2318-0
Synonyms N-((1S,2S,3S,5R)-3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}cyclopentyl)methanesulfonamide
Wiley ID 1412734