Chem
J-GLOBAL ID：200907003459861172   Nikkaji number：J779.798B

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-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,12α-ジヒドロキシ-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： C32H35NO7
Molecular formula furigana： C32-H35-N-O7
Molecular weight： 545.632
InChI： InChI=1S/C32H35NO7/c1-30-12-11-24-31(2,17-37-29(39-24)18-8-5-4-6-9-18)22(30)15-23(34)32(3)27(30)26(35)25-21(40-32)14-20(38-28(25)36)19-10-7-13-33-16-19/h4-10,13-14,16,22-24,26-27,29,34-35H,11-12,15,17H2,1-3H3/t22-,23+,24+,26+,27-,29-,30+,31+,32-/m1/s1
InChI key： WPKHNTUUGUNOHR-HNFQKFOASA-N
SMILES： C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](O)[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,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-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)-3,12-ジヒドロキシ-1,11,15-トリメチル-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-5-オン
  • (1S,2S,3R,11S,12S,14R,15R,18R,20S)-3,12-dihydroxy-1,11,15-trimethyl-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-5-one
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-phenyl-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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