Chem
J-GLOBAL ID：200907057228365728   Nikkaji number：J1.319.067D

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

(3S)-3α,6α-ジアセトキシ-4β-アセトキシメチル-1,3,4,4aβ,5,6,6a,12b-オクタヒドロ-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： C31H35NO9
Molecular formula furigana： C31-H35-N-O9
Molecular weight： 565.619
InChI： InChI=1S/C31H35NO9/c1-17(33)37-16-30(5)24-14-27(39-19(3)35)31(6)25(29(24,4)10-9-26(30)38-18(2)34)12-21-23(41-31)13-22(40-28(21)36)20-8-7-11-32-15-20/h7-8,11-13,15,24,26-27H,9-10,14,16H2,1-6H3/t24-,26+,27+,29+,30+,31+/m1/s1
InChI key： CAIGEWOTKYYEDS-ZRPODQDASA-N
SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)C)[C@@]1(C)Oc3cc(oc(=O)c3C=C21)c1cccnc1)OC(=O)C
Systematic name  (3)：
  • (3S)-3α,6α-ジアセトキシ-4β-アセトキシメチル-1,3,4,4aβ,5,6,6a,12b-オクタヒドロ-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)-6,9-ビス(アセチルオキシ)-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-8-イル]メチル アセタート
  • [(5aS,6S,7aR,8R,9S,11aS)-6,9-bis(acetyloxy)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a-decahydro-2,5-dioxatetraphen-8-yl]methyl acetate
Other name (1)：
  • (3S)-3α,6α-Diacetoxy-4β-acetoxymethyl-1,3,4,4aβ,5,6,6a,12b-octahydro-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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