Chem
J-GLOBAL ID:200907003095289133
Nikkaji number:J2.651.340E
8α-[4-[2-(Benzyloxy)ethyl]-1H-1,2,3-triazole-1-yl]-1,7-dioxaspiro[5.5]undecane-2α-methanol
8α-[4-[2-(ベンジルオキシ)エチル]-1H-1,2,3-トリアゾール-1-イル]-1,7-ジオキサスピロ[5.5]ウンデカン-2α-メタノール
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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:
C21 H29 N3 O4
Molecular formula furigana:
C21-H29-N3-O4
Molecular weight:
387.480
InChI:
InChI=1S/C21H29N3O4/c25-15-19-8-4-11-21(27-19)12-5-9-20(28-21)24-14-18(22-23-24)10-13-26-16-17-6-2-1-3-7-17/h1-3,6-7,14,19-20,25H,4-5,8-13,15-16H2/t19-,20-,21?/m0/s1
InChI key:
GOOMXLHHNWGOAG-AHTKWCMKSA-N
SMILES:
OC[C@@H]1CCCC2(CCC[C@H](O2)n2cc(CCOCc3ccccc3)nn2)O1
Systematic name (3):
8α-[4-[2-(ベンジルオキシ)エチル]-1H-1,2,3-トリアゾール-1-イル]-1,7-ジオキサスピロ[5.5]ウンデカン-2α-メタノール
[(2S,8S)-8-{4-[2-(ベンジルオキシ)エチル]-1H-1,2,3-トリアゾール-1-イル}-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]メタノール
[(2S,8S)-8-{4-[2-(benzyloxy)ethyl]-1H-1,2,3-triazol-1-yl}-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
Other name (1):
8α-[4-[2-(Benzyloxy)ethyl]-1H-1,2,3-triazole-1-yl]-1,7-dioxaspiro[5.5]undecane-2α-methanol
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