Chem
J-GLOBAL ID：200907009195243058   Nikkaji number：J779.813J

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-acetoxy-12α-hydroxy-2,2,4aα,6aα,12bα-pentamethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one

酢酸=(4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-12-ヒドロキシ-2,2,4a,6a,12b-ペンタメチル-11-オキソ-9-(ピリジン-3-イル)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-ドデカヒドロ-2H,11H-ピラノ[4′,3′-2,3]クロメノ[6,5-f][1,3]ベンゾジオキシン-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： C30H37NO8
Molecular formula furigana： C30-H37-N-O8
Molecular weight： 539.625
InChI： InChI=1S/C30H37NO8/c1-16(32)36-22-13-20-28(4,10-9-21-29(20,5)15-35-27(2,3)39-21)25-24(33)23-19(38-30(22,25)6)12-18(37-26(23)34)17-8-7-11-31-14-17/h7-8,11-12,14,20-22,24-25,33H,9-10,13,15H2,1-6H3/t20-,21+,22+,24+,25-,28+,29+,30-/m1/s1
InChI key： OKGONBZDVSTMGC-GIJSDNDKSA-N
SMILES： CC(=O)O[C@H]1C[C@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)c1cccnc1
Systematic name  (4)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α-アセトキシ-12α-ヒドロキシ-2,2,4aα,6aα,12bα-ペンタメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-11-オン
  • 酢酸(4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-12-ヒドロキシ-2,2,4a,6a,12b-ペンタメチル-11-オキソ-9-(3-ピリジル)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-ドデカヒドロ-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-6-イル
  • (1S,2S,3R,11S,12S,14R,15R,20S)-3-ヒドロキシ-1,11,15,18,18-ペンタメチル-5-オキソ-7-(ピリジン-3-イル)-6,10,17,19-テトラオキサペンタシクロ[12.8.0.02,11.04,9.015,20]ドコサ-4(9),7-ジエン-12-イル アセタート
  • (1S,2S,3R,11S,12S,14R,15R,20S)-3-hydroxy-1,11,15,18,18-pentamethyl-5-oxo-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-12-yl acetate
Other name (3)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-acetoxy-12α-hydroxy-2,2,4aα,6aα,12bα-pentamethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
  • Acetic acid (4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-12-hydroxy-2,2,4a,6a,12b-pentamethyl-11-oxo-9-(3-pyridyl)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-dodecahydro-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-6-yl ester
  • 酢酸=(4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-12-ヒドロキシ-2,2,4a,6a,12b-ペンタメチル-11-オキソ-9-(ピリジン-3-イル)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-ドデカヒドロ-2H,11H-ピラノ[4′,3′-2,3]クロメノ[6,5-f][1,3]ベンゾジオキシン-6-イル
Regulation number (1)：
  • 8-(5)-394
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