Chem
J-GLOBAL ID：200907086046589779   Nikkaji number：J1.319.079H

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14a-Dodecahydro-6α-(benzoyloxy)-12α-hydroxy-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,12,12aβ,12b,13,14,14a-ドデカヒドロ-6α-(ベンゾイルオキシ)-12α-ヒドロキシ-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： C39H39NO8
Molecular formula furigana： C39-H39-N-O8
Molecular weight： 649.740
InChI： InChI=1S/C39H39NO8/c1-37-17-16-29-38(2,22-44-36(47-29)24-13-8-5-9-14-24)28(37)20-30(46-34(42)23-11-6-4-7-12-23)39(3)33(37)32(41)31-27(48-39)19-26(45-35(31)43)25-15-10-18-40-21-25/h4-15,18-19,21,28-30,32-33,36,41H,16-17,20,22H2,1-3H3/t28-,29?,30+,32+,33-,36?,37+,38+,39-/m1/s1
InChI key： RCMZHEODHMXRRW-OTTYDSFPSA-N
SMILES： C[C@@]12COC(OC1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)c1cccnc1)c1ccccc1
Systematic name  (3)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14a-ドデカヒドロ-6α-(ベンゾイルオキシ)-12α-ヒドロキシ-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,2S,3R,11S,12S,14R,15R)-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 ベンゾアート
  • (1S,2S,3R,11S,12S,14R,15R)-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 benzoate
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14a-Dodecahydro-6α-(benzoyloxy)-12α-hydroxy-4aα,6aα,12bα-trimethyl-2-phenyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-11-one
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