Chem
J-GLOBAL ID：200907073319006432   Nikkaji number：J901.008D

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

(3S)-3α,6α-ジアセトキシ-4β-アセトキシメチル-1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-11H,12H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11,12-ジオン
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： C31H35NO10
Molecular formula furigana： C31-H35-N-O10
Molecular weight： 581.618
InChI： InChI=1S/C31H35NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,27H,9-10,13,15H2,1-6H3/t22-,23+,24+,27-,29+,30+,31-/m1/s1
InChI key： KNVGPYKVIULWLB-YURTULQESA-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(=O)[C@H]21)c1cccnc1)OC(=O)C
Systematic name  (4)：
  • (3S)-3α,6α-ジアセトキシ-4β-(アセトキシメチル)-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-11H,12H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11,12-ジオン
  • (3S)-3α,6α-ジアセトキシ-4β-アセトキシメチル-1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-11H,12H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11,12-ジオン
  • [(5aS,6S,7aR,8R,9S,11aS,11bR)-6,9-ビス(アセチルオキシ)-5a,8,11a-トリメチル-1,12-ジオキソ-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 アセタート
  • [(5aS,6S,7aR,8R,9S,11aS,11bR)-6,9-bis(acetyloxy)-5a,8,11a-trimethyl-1,12-dioxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl acetate
Other name (2)：
  • (3S)-3α,6α-Diacetoxy-4β-(acetoxymethyl)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-1,2,3,4,4aβ,5,6,6a,12aβ,12b-decahydro-11H,12H-naphtho[2,1-b]pyrano[3,4-e]pyran-11,12-dione
  • (3S)-3α,6α-Diacetoxy-4β-acetoxymethyl-1,2,3,4,4aβ,5,6,6a,12aβ,12b-decahydro-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-11H,12H-naphtho[2,1-b]pyrano[3,4-e]pyran-11,12-dione
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