Chem
J-GLOBAL ID:201007075773175200
Nikkaji number:J2.804.633B
(2R)-2α-(4-Methylbenzoyloxymethyl)-3β-(4-methylbenzoyloxy)-5β-(2,2′-bipyridine-5-ylethynyl)tetrahydrofuran
(2R)-2α-(4-メチルベンゾイルオキシメチル)-3β-(4-メチルベンゾイルオキシ)-5β-(2,2′-ビピリジン-5-イルエチニル)テトラヒドロフラン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C33 H28 N2 O5
Molecular formula furigana:
C33-H28-N2-O5
Molecular weight:
532.596
InChI:
InChI=1S/C33H28N2O5/c1-22-6-12-25(13-7-22)32(36)38-21-31-30(40-33(37)26-14-8-23(2)9-15-26)19-27(39-31)16-10-24-11-17-29(35-20-24)28-5-3-4-18-34-28/h3-9,11-15,17-18,20,27,30-31H,19,21H2,1-2H3/t27-,30+,31-/m1/s1
InChI key:
BIQZGUCXXUUUTF-JMJMSVOMSA-N
SMILES:
Cc1ccc(cc1)C(=O)OC[C@H]1O[C@@H](C[C@@H]1OC(=O)c1ccc(C)cc1)C#Cc1ccc(nc1)c1ccccn1
Systematic name (3):
(2R)-2α-(4-メチルベンゾイルオキシメチル)-3β-(4-メチルベンゾイルオキシ)-5β-(2,2′-ビピリジン-5-イルエチニル)テトラヒドロフラン
[(2R,3S,5S)-5-(2-{[2,2'-ビピリジン]-5-イル}エチニル)-3-(4-メチルベンゾイルオキシ)オキソラン-2-イル]メチル 4-メチルベンゾアート
[(2R,3S,5S)-5-(2-{[2,2'-bipyridin]-5-yl}ethynyl)-3-(4-methylbenzoyloxy)oxolan-2-yl]methyl 4-methylbenzoate
Other name (1):
(2R)-2α-(4-Methylbenzoyloxymethyl)-3β-(4-methylbenzoyloxy)-5β-(2,2′-bipyridine-5-ylethynyl)tetrahydrofuran
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