Chem
J-GLOBAL ID:200907000771216161   Nikkaji number:J2.145.428A

(αS,2R)-α-Hexyl-3β-[(2S)-1-(tert-butoxycarbonyl)-2α-(benzyloxymethyl)-1-azaspiro[4.5]decane-6β-yl]oxirane-2α-methanol

(αS,2R)-α-ヘキシル-3β-[(2S)-1-(tert-ブトキシカルボニル)-2α-(ベンジルオキシメチル)-1-アザスピロ[4.5]デカン-6β-イル]オキシラン-2α-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: C31H49NO5
Molecular formula furigana: C31-H49-N-O5
Molecular weight: 515.735
InChI: InChI=1S/C31H49NO5/c1-5-6-7-11-17-26(33)28-27(36-28)25-16-12-13-19-31(25)20-18-24(32(31)29(34)37-30(2,3)4)22-35-21-23-14-9-8-10-15-23/h8-10,14-15,24-28,33H,5-7,11-13,16-22H2,1-4H3/t24-,25+,26-,27+,28+,31?/m0/s1
InChI key: XHNOMIXKTCDRJL-UTDNXTLXSA-N
SMILES: CCCCCC[C@H](O)[C@H]1O[C@@H]1[C@H]1CCCCC21CC[C@@H](COCc1ccccc1)N2C(=O)OC(C)(C)C
Systematic name  (3):
  • (αS,2R)-α-ヘキシル-3β-[(2S)-1-(tert-ブトキシカルボニル)-2α-(ベンジルオキシメチル)-1-アザスピロ[4.5]デカン-6β-イル]オキシラン-2α-メタノール
  • tert-ブチル (2S,6S)-2-[(ベンジルオキシ)メチル]-6-[(2R,3R)-3-[(1S)-1-ヒドロキシヘプチル]オキシラン-2-イル]-1-アザスピロ[4.5]デカン-1-カルボキシラート
  • tert-butyl (2S,6S)-2-[(benzyloxy)methyl]-6-[(2R,3R)-3-[(1S)-1-hydroxyheptyl]oxiran-2-yl]-1-azaspiro[4.5]decane-1-carboxylate
Other name (1):
  • (αS,2R)-α-Hexyl-3β-[(2S)-1-(tert-butoxycarbonyl)-2α-(benzyloxymethyl)-1-azaspiro[4.5]decane-6β-yl]oxirane-2α-methanol
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