Chem
J-GLOBAL ID：200907029501174066   Nikkaji number：J1.319.070D

4,4a,4bβ,5,6,6a,12b,13,14,14a-Decahydro-6α-(pentanoyloxy)-4aα,6aα,12bα-trimethyl-2-phenyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-11-one

4,4a,4bβ,5,6,6a,12b,13,14,14a-デカヒドロ-6α-(ペンタノイルオキシ)-4aα,6aα,12bα-トリメチル-2-フェニル-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： C37H41NO7
Molecular formula furigana： C37-H41-N-O7
Molecular weight： 611.735
InChI： InChI=1S/C37H41NO7/c1-5-6-14-32(39)43-31-20-28-35(2,16-15-30-36(28,3)22-41-34(44-30)23-11-8-7-9-12-23)29-18-25-27(45-37(29,31)4)19-26(42-33(25)40)24-13-10-17-38-21-24/h7-13,17-19,21,28,30-31,34H,5-6,14-16,20,22H2,1-4H3/t28-,30?,31+,34?,35+,36+,37+/m1/s1
InChI key： NPSGHRGOSKWIKZ-OYYFUAIBSA-N
SMILES： CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)COC(OC3CC[C@]2(C)C2=Cc3c(O[C@]12C)cc(oc3=O)c1cccnc1)c1ccccc1
Systematic name  (3)：
  • 4,4a,4bβ,5,6,6a,12b,13,14,14a-デカヒドロ-6α-(ペンタノイルオキシ)-4aα,6aα,12bα-トリメチル-2-フェニル-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,11S,12S,14R,15R)-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-2,4(9),7-トリエン-12-イル ペンタノアート
  • (1S,11S,12S,14R,15R)-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-2,4(9),7-trien-12-yl pentanoate
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12b,13,14,14a-Decahydro-6α-(pentanoyloxy)-4aα,6aα,12bα-trimethyl-2-phenyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-11-one
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