Chem
J-GLOBAL ID：200907025380268046   Nikkaji number：J1.319.072K

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

酢酸=(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,12-ジヒドロキシ-4-ヒドロキシメチル-4,6a,12b-トリメチル-11-オキソ-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-6-イル
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： C27H33NO8
Molecular formula furigana： C27-H33-N-O8
Molecular weight： 499.560
InChI： InChI=1S/C27H33NO8/c1-14(30)34-20-11-18-25(2,8-7-19(31)26(18,3)13-29)23-22(32)21-17(36-27(20,23)4)10-16(35-24(21)33)15-6-5-9-28-12-15/h5-6,9-10,12,18-20,22-23,29,31-32H,7-8,11,13H2,1-4H3/t18-,19+,20+,22+,23-,25+,26+,27-/m1/s1
InChI key： VEVRHRCWDFOGJW-ODHUSUJMSA-N
SMILES： CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)c1cccnc1
Systematic name  (4)：
  • (3S)-6α-アセトキシ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,12α-ジヒドロキシ-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
  • 酢酸(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,12-ジヒドロキシ-4-(ヒドロキシメチル)-4,6a,12b-トリメチル-11-オキソ-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-6-イル
  • (5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9,12-ジヒドロキシ-8-(ヒドロキシメチル)-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-6-イル アセタート
  • (5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9,12-dihydroxy-8-(hydroxymethyl)-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-6-yl acetate
Other name (3)：
  • (3S)-6α-Acetoxy-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-3α,12α-dihydroxy-4β-(hydroxymethyl)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
  • Acetic acid (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,12-dihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-11-oxo-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-6-yl ester
  • 酢酸=(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,12-ジヒドロキシ-4-ヒドロキシメチル-4,6a,12b-トリメチル-11-オキソ-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-6-イル
Regulation number (1)：
  • 8-(5)-393
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