Chem
J-GLOBAL ID：200907070806696968   Nikkaji number：J819.535H

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

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,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-11-オキソ-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-9-イル]ピリジン1-オキシド
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： C31H37[N+]O10[O-]
Molecular formula furigana： C31-H37-N-O11
Molecular weight： 599.633
InChI： InChI=1S/C31H37NO11/c1-16(33)39-15-30(5)22-13-24(41-18(3)35)31(6)27(29(22,4)10-9-23(30)40-17(2)34)26(36)25-21(43-31)12-20(42-28(25)37)19-8-7-11-32(38)14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22-,23+,24+,26+,27-,29+,30+,31-/m1/s1
InChI key： LVPMMILGFCTZBA-RVTXXDJVSA-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)c3[C@H](O)[C@H]21)c1ccc[n+]([O-])c1)OC(=O)C
Systematic name  (4)：
  • 3-[[(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-12α-ヒドロキシ-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン]-9-イル]ピリジン1-オキシド
  • 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,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-11-オキソ-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-9-イル]ピリジン1-オキシド
  • 3-[(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6,9-ビス(アセチルオキシ)-8-[(アセチルオキシ)メチル]-12-ヒドロキシ-5a,8,11a-トリメチル-1-オキソ-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-3-イル]ピリジン-1-イウム-1-オラート
  • 3-[(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6,9-bis(acetyloxy)-8-[(acetyloxy)methyl]-12-hydroxy-5a,8,11a-trimethyl-1-oxo-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-3-yl]pyridin-1-ium-1-olate
Other name (2)：
  • 3-[[(3S)-3α,6α-Diacetoxy-4β-(acetoxymethyl)-4,6aα,12bα-trimethyl-12α-hydroxy-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran]-9-yl]pyridine 1-oxide
  • 3-[(3S)-3α,6α-Diacetoxy-4β-acetoxymethyl-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-11-oxo-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-9-yl]pyridine 1-oxide
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