Chem
J-GLOBAL ID：200907003862241656   Nikkaji number：J2.110.142G

2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosylcarbamic acid cholesta-5-ene-3β-yl ester

2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルカルバミド酸コレスタ-5-エン-3β-イル
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： C42H65NO11
Molecular formula furigana： C42-H65-N-O11
Molecular weight： 759.978
InChI： InChI=1S/C42H65NO11/c1-23(2)11-10-12-24(3)32-15-16-33-31-14-13-29-21-30(17-19-41(29,8)34(31)18-20-42(32,33)9)53-40(48)43-39-38(52-28(7)47)37(51-27(6)46)36(50-26(5)45)35(54-39)22-49-25(4)44/h13,23-24,30-39H,10-12,14-22H2,1-9H3,(H,43,48)/t24-,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,41+,42-/m1/s1
InChI key： INMLRYYLHVIXOH-DFJKCOQZSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)N[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3)：
  • 2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルカルバミド酸コレスタ-5-エン-3β-イル
  • [(2R,3R,4S,5R,6R)-6-[({[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}カルボニル)アミノ]-3,4,5-トリス(アセチルオキシ)オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-6-[({[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)amino]-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate
Other name (1)：
  • 2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosylcarbamic acid cholesta-5-ene-3β-yl ester
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