Chem
J-GLOBAL ID：200907053232355740   Nikkaji number：J1.319.063A

(3S)-3α,6α,12α-Triacetoxy-4β-acetoxymethyl-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,12α-トリアセトキシ-4β-アセトキシメチル-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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： C33H39NO11
Molecular formula furigana： C33-H39-N-O11
Molecular weight： 625.671
InChI： InChI=1S/C33H39NO11/c1-17(35)40-16-32(6)24-14-26(42-19(3)37)33(7)29(31(24,5)11-10-25(32)41-18(2)36)28(43-20(4)38)27-23(45-33)13-22(44-30(27)39)21-9-8-12-34-15-21/h8-9,12-13,15,24-26,28-29H,10-11,14,16H2,1-7H3/t24-,25+,26+,28+,29-,31+,32+,33-/m1/s1
InChI key： YFPHVKOIVCGPQD-YIGCTRRJSA-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](OC(=O)C)[C@H]21)c1cccnc1)OC(=O)C
Systematic name  (3)：
  • (3S)-3α,6α,12α-トリアセトキシ-4β-アセトキシメチル-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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,11bS,12R)-6,9,12-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 アセタート
  • [(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6,9,12-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 acetate
Other name (1)：
  • (3S)-3α,6α,12α-Triacetoxy-4β-acetoxymethyl-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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