Chem
J-GLOBAL ID：200907023424156191   Nikkaji number：J1.319.073I

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

(3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,6α-ジヒドロキシ-4β-(ヒドロキシメチル)-4,6aα,12bα-トリメチル-9-(6-クロロ-3-ピリジニル)-2H,11H-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： C25H28ClNO7
Molecular formula furigana： C25-H28-CL-N-O7
Molecular weight： 489.950
InChI： InChI=1S/C25H28ClNO7/c1-23-7-6-16(29)24(2,11-28)15(23)9-17(30)25(3)21(23)20(31)19-14(34-25)8-13(33-22(19)32)12-4-5-18(26)27-10-12/h4-5,8,10,15-17,21,28-30H,6-7,9,11H2,1-3H3/t15-,16+,17+,21-,23+,24+,25-/m1/s1
InChI key： RKEUSQXKXASQAN-XMBXBXBTSA-N
SMILES： C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3C(=O)[C@H]21)c1ccc(Cl)nc1
Systematic name  (3)：
  • (3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,6α-ジヒドロキシ-4β-(ヒドロキシメチル)-4,6aα,12bα-トリメチル-9-(6-クロロ-3-ピリジニル)-2H,11H-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)-3-(6-クロロピリジン-3-イル)-6,9-ジヒドロキシ-8-(ヒドロキシメチル)-5a,8,11a-トリメチル-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-1,12-ジオン
  • (5aS,6S,7aR,8R,9S,11aS,11bR)-3-(6-chloropyridin-3-yl)-6,9-dihydroxy-8-(hydroxymethyl)-5a,8,11a-trimethyl-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphene-1,12-dione
Other name (1)：
  • (3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-Decahydro-3α,6α-dihydroxy-4β-(hydroxymethyl)-4,6aα,12bα-trimethyl-9-(6-chloro-3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11,12-dione
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