Chem
J-GLOBAL ID：200907073166942680   Nikkaji number：J1.319.065H

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

(3S)-3α,6α,12a-トリアセトキシ-4β-(ブチリルオキシメチル)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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： C35H43NO11
Molecular formula furigana： C35-H43-N-O11
Molecular weight： 653.725
InChI： InChI=1S/C35H43NO11/c1-8-10-30(40)42-19-32(5)27-16-29(44-21(3)38)34(7)35(46-22(4)39,33(27,6)13-12-28(32)43-20(2)37)17-24-26(47-34)15-25(45-31(24)41)23-11-9-14-36-18-23/h9,11,14-15,18,27-29H,8,10,12-13,16-17,19H2,1-7H3/t27-,28-,29-,32-,33-,34+,35-/m0/s1
InChI key： AMWPNNICMSOCQH-TVTLYPCFSA-N
SMILES： CCCC(=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[C@]21OC(=O)C)c1cccnc1)OC(=O)C
Systematic name  (3)：
  • (3S)-3α,6α,12a-トリアセトキシ-4β-(ブチリルオキシメチル)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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
  • [(5aR,6S,7aS,8R,9S,11aS,11bS)-6,9,11b-トリス(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,11b,12-ドデカヒドロ-2,5-ジオキサテトラフェン-8-イル]メチル ブタノアート
  • [(5aR,6S,7aS,8R,9S,11aS,11bS)-6,9,11b-tris(acetyloxy)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl butanoate
Other name (1)：
  • (3S)-3α,6α,12a-Triacetoxy-4β-(butyryloxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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