Chem
J-GLOBAL ID：200907082937892710   Nikkaji number：J696.150I

1-[[[(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]oxy]-3-(diethylamino)-2-propanol

1-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10β-イル]オキシ]-3-(ジエチルアミノ)-2-プロパノール
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： C22H39NO6
Molecular formula furigana： C22-H39-N-O6
Molecular weight： 413.555
InChI： InChI=1S/C22H39NO6/c1-6-23(7-2)12-16(24)13-25-19-15(4)18-9-8-14(3)17-10-11-21(5)27-20(26-19)22(17,18)29-28-21/h14-20,24H,6-13H2,1-5H3/t14-,15-,16?,17+,18+,19+,20-,21-,22-/m1/s1
InChI key： LLRCUTIOLAUONI-CMSQPVHESA-N
SMILES： CCN(CC)CC(O)CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Systematic name  (3)：
  • 1-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10β-イル]オキシ]-3-(ジエチルアミノ)-2-プロパノール
  • 1-(ジエチルアミノ)-3-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-トリメチル-11,14,15,16-テトラオキサテトラシクロ[10.3.1.04,13.08,13]ヘキサデカン-10-イル]オキシ}プロパン-2-オール
  • 1-(diethylamino)-3-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy}propan-2-ol
Other name (1)：
  • 1-[[[(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]oxy]-3-(diethylamino)-2-propanol
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