Chem
J-GLOBAL ID：200907039929507901   Nikkaji number：J779.814H

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

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-2α-フェニル-6α-アセトキシ-12α-ヒドロキシ-4aα,6aα,12bα-トリメチル-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
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： C34H37NO8
Molecular formula furigana： C34-H37-N-O8
Molecular weight： 587.669
InChI： InChI=1S/C34H37NO8/c1-19(36)40-26-16-24-32(2,13-12-25-33(24,3)18-39-31(42-25)20-9-6-5-7-10-20)29-28(37)27-23(43-34(26,29)4)15-22(41-30(27)38)21-11-8-14-35-17-21/h5-11,14-15,17,24-26,28-29,31,37H,12-13,16,18H2,1-4H3/t24-,25+,26+,28+,29-,31-,32+,33+,34-/m1/s1
InChI key： COSHMZXPGWKTFR-NYVJTYBSSA-N
SMILES： CC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)c1cccnc1)c1ccccc1
Systematic name  (3)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-2α-フェニル-6α-アセトキシ-12α-ヒドロキシ-4aα,6aα,12bα-トリメチル-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
  • (1S,2S,3R,11S,12S,14R,15R,18R,20S)-3-ヒドロキシ-1,11,15-トリメチル-5-オキソ-18-フェニル-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,18R,20S)-3-hydroxy-1,11,15-trimethyl-5-oxo-18-phenyl-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 (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-2α-phenyl-6α-acetoxy-12α-hydroxy-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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