Chem
J-GLOBAL ID:200907057522157572   Nikkaji number:J2.031.235A

(3R,4aβ)-1-(tert-Butyloxycarbonylimino)-2-(tert-butyloxycarbonyl)-3α-[9-(4-methoxybenzyloxy)nonyl]octahydropyrrolo[1,2-c]pyrimidine-4α-methanol

(3R,4aβ)-1-(tert-ブチルオキシカルボニルイミノ)-2-(tert-ブチルオキシカルボニル)-3α-[9-(4-メトキシベンジルオキシ)ノニル]オクタヒドロピロロ[1,2-c]ピリミジン-4α-メタノール
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: C35H57N3O7
Molecular formula furigana: C35-H57-N3-O7
Molecular weight: 631.855
InChI: InChI=1S/C35H57N3O7/c1-34(2,3)44-32(40)36-31-37-22-15-17-29(37)28(24-39)30(38(31)33(41)45-35(4,5)6)16-13-11-9-8-10-12-14-23-43-25-26-18-20-27(42-7)21-19-26/h18-21,28-30,39H,8-17,22-25H2,1-7H3/t28-,29+,30-/m1/s1
InChI key: IKGZBPMTNFUOTG-DYIKCSJPSA-N
SMILES: COc1ccc(COCCCCCCCCC[C@@H]2[C@H](CO)[C@@H]3CCCN3C(=NC(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C)cc1
Systematic name  (5):
  • (3R,4aβ)-1-(tert-ブチルオキシカルボニルイミノ)-2-(tert-ブチルオキシカルボニル)-3α-[9-(4-メトキシベンジルオキシ)ノニル]オクタヒドロピロロ[1,2-c]ピリミジン-4α-メタノール
  • (3R,4aβ)-1-[(tert-ブトキシカルボニル)イミノ]-3α-[9-(4-メトキシベンジルオキシ)ノニル]-4α-(ヒドロキシメチル)オクタヒドロピロロ[1,2-c]ピリミジン-2-カルボン酸tert-ブチル
  • 1-[(tert-ブチルオキシカルボニル)イミノ]-3α-[9-[(4-メトキシベンジル)オキシ]ノニル]-4α-(ヒドロキシメチル)-3,4,4aβ,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-2(1H)-カルボン酸tert-ブチル
  • tert-ブチル (3R,4R,4aS)-1-{[(tert-ブトキシ)カルボニル]イミノ}-4-(ヒドロキシメチル)-3-{9-[(4-メトキシフェニル)メトキシ]ノニル}-オクタヒドロピロロ[1,2-c]ピリミジン-2-カルボキシラート
  • tert-butyl (3R,4R,4aS)-1-{[(tert-butoxy)carbonyl]imino}-4-(hydroxymethyl)-3-{9-[(4-methoxyphenyl)methoxy]nonyl}-octahydropyrrolo[1,2-c]pyrimidine-2-carboxylate
Other name (3):
  • (3R,4aβ)-1-(tert-Butyloxycarbonylimino)-2-(tert-butyloxycarbonyl)-3α-[9-(4-methoxybenzyloxy)nonyl]octahydropyrrolo[1,2-c]pyrimidine-4α-methanol
  • (3R,4aβ)-1-[(tert-Butoxycarbonyl)imino]-3α-[9-(4-methoxybenzyloxy)nonyl]-4α-(hydroxymethyl)octahydropyrrolo[1,2-c]pyrimidine-2-carboxylic acid tert-butyl ester
  • 1-[(tert-Butyloxycarbonyl)imino]-3α-[9-[(4-methoxybenzyl)oxy]nonyl]-4α-(hydroxymethyl)-3,4,4aβ,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2(1H)-carboxylic acid tert-butyl ester
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