Chem
J-GLOBAL ID：200907098236757889   Nikkaji number：J779.799K

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-phenyl-2,4aα,6aα,12bα-tetramethyl-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-2,4aα,6aα,12bα-テトラメチル-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： C33H37NO7
Molecular formula furigana： C33-H37-N-O7
Molecular weight： 559.659
InChI： InChI=1S/C33H37NO7/c1-30-13-12-25-31(2,18-38-33(4,41-25)20-10-6-5-7-11-20)23(30)16-24(35)32(3)28(30)27(36)26-22(40-32)15-21(39-29(26)37)19-9-8-14-34-17-19/h5-11,14-15,17,23-25,27-28,35-36H,12-13,16,18H2,1-4H3/t23-,24+,25+,27+,28-,30+,31+,32-,33-/m1/s1
InChI key： VXJRDBWVLHGUIE-MTKHAWPMSA-N
SMILES： C[C@]1(OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](O)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)c2cccnc2)O1)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-2,4aα,6aα,12bα-テトラメチル-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-1,11,15,18-テトラメチル-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-1,11,15,18-tetramethyl-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-2,4aα,6aα,12bα-tetramethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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