Chem
J-GLOBAL ID：200907094259768211   Nikkaji number：J779.815F

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-2α-phenyl-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-6α-(ペンタノイルオキシ)-12α-ヒドロキシ-2α-フェニル-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： C37H43NO8
Molecular formula furigana： C37-H43-N-O8
Molecular weight： 629.750
InChI： InChI=1S/C37H43NO8/c1-5-6-14-29(39)44-28-19-26-35(2,16-15-27-36(26,3)21-42-34(45-27)22-11-8-7-9-12-22)32-31(40)30-25(46-37(28,32)4)18-24(43-33(30)41)23-13-10-17-38-20-23/h7-13,17-18,20,26-28,31-32,34,40H,5-6,14-16,19,21H2,1-4H3/t26-,27+,28+,31+,32-,34-,35+,36+,37-/m1/s1
InChI key： KIDFLGQVFJATJP-LHGBKGOFSA-N
SMILES： CCCCC(=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-6α-(ペンタノイルオキシ)-12α-ヒドロキシ-2α-フェニル-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 ペンタノアート
  • (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 pentanoate
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-2α-phenyl-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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