Chem
J-GLOBAL ID：200907015092286468   Nikkaji number：J877.667I

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

(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-トリヒドロキシ-4-ヒドロキシメチル-4,6a,12b-トリメチル-9-(ピリジン-3-イル)-1,2,3,4,4a,5,6,6a,12a,12b-デカヒドロ-11H,12H-ベンゾ[f]ピラノ[4,3-b]クロメン-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： C25H31NO7
Molecular formula furigana： C25-H31-N-O7
Molecular weight： 457.523
InChI： InChI=1S/C25H31NO7/c1-23-7-6-17(28)24(2,12-27)16(23)10-18(29)25(3)21(23)20(30)19-15(33-25)9-14(32-22(19)31)13-5-4-8-26-11-13/h4-5,8-9,11,16-18,20-21,27-30H,6-7,10,12H2,1-3H3/t16-,17+,18+,20+,21-,23+,24+,25-/m1/s1
InChI key： LGPIKYUOVSTCHV-BGXNMNLRSA-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)c3[C@H](O)[C@H]21)c1cccnc1
Systematic name  (5)：
  • 1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,6α,12α-トリヒドロキシ-4β-(ヒドロキシメチル)-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
  • (3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,6α,12α-トリヒドロキシ-4β-(ヒドロキシメチル)-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
  • (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-トリヒドロキシ-4-ヒドロキシメチル-4,6a,12b-トリメチル-9-(3-ピリジル)-1,2,3,4,4a,5,6,6a,12a,12b-デカヒドロ-11H,12H-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-トリヒドロキシ-8-(ヒドロキシメチル)-5a,8,11a-トリメチル-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-1-オン
  • (5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6,9,12-trihydroxy-8-(hydroxymethyl)-5a,8,11a-trimethyl-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-1-one
Other name (4)：
  • 1,3,4,4aβ,5,6,6a,12,12aβ,12b-Decahydro-3α,6α,12α-trihydroxy-4β-(hydroxymethyl)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
  • (3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-Decahydro-3α,6α,12α-trihydroxy-4β-(hydroxymethyl)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
  • (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-Trihydroxy-4-hydroxymethyl-4,6a,12b-trimethyl-9-(3-pyridyl)-1,2,3,4,4a,5,6,6a,12a,12b-decahydro-11H,12H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
  • (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-トリヒドロキシ-4-ヒドロキシメチル-4,6a,12b-トリメチル-9-(ピリジン-3-イル)-1,2,3,4,4a,5,6,6a,12a,12b-デカヒドロ-11H,12H-ベンゾ[f]ピラノ[4,3-b]クロメン-11-オン
Regulation number (1)：
  • 8-(1)-3289
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