Chem
J-GLOBAL ID：200907040083086167   Nikkaji number：J1.319.075E

(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12b-octahydro-6α-(benzoyloxy)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one

(3S)-3α-アセトキシ-4β-(アセトキシメチル)-1,3,4,4aβ,5,6,6a,12b-オクタヒドロ-6α-(ベンゾイルオキシ)-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11-オン
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： C36H37NO9
Molecular formula furigana： C36-H37-N-O9
Molecular weight： 627.690
InChI： InChI=1S/C36H37NO9/c1-21(38)42-20-35(4)28-18-31(45-32(40)23-10-7-6-8-11-23)36(5)29(34(28,3)14-13-30(35)43-22(2)39)16-25-27(46-36)17-26(44-33(25)41)24-12-9-15-37-19-24/h6-12,15-17,19,28,30-31H,13-14,18,20H2,1-5H3/t28-,30+,31+,34+,35+,36+/m1/s1
InChI key： QLQLKZXCMAZDGV-CLCFXCIFSA-N
SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3C=C21)c1cccnc1)OC(=O)C
Systematic name  (3)：
  • (3S)-3α-アセトキシ-4β-(アセトキシメチル)-1,3,4,4aβ,5,6,6a,12b-オクタヒドロ-6α-(ベンゾイルオキシ)-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11-オン
  • (5aS,6S,7aR,8R,9S,11aS)-9-(アセチルオキシ)-8-[(アセチルオキシ)メチル]-5a,8,11a-トリメチル-1-オキソ-3-(ピリジン-3-イル)-1,5a,6,7,7a,8,9,10,11,11a-デカヒドロ-2,5-ジオキサテトラフェン-6-イル ベンゾアート
  • (5aS,6S,7aR,8R,9S,11aS)-9-(acetyloxy)-8-[(acetyloxy)methyl]-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a-decahydro-2,5-dioxatetraphen-6-yl benzoate
Other name (1)：
  • (3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12b-octahydro-6α-(benzoyloxy)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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