Chem
J-GLOBAL ID：200907025219521858   Nikkaji number：J1.319.076C

4,4a,4bβ,5,6,6a,12b,13,14,14a-Decahydro-6α-(benzoyloxy)-2,2,4aα,6aα,12bα-pentamethyl-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-(ベンゾイルオキシ)-2,2,4aα,6aα,12bα-ペンタメチル-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： C35H37NO7
Molecular formula furigana： C35-H37-N-O7
Molecular weight： 583.681
InChI： InChI=1S/C35H37NO7/c1-32(2)39-20-34(4)26-18-29(41-30(37)21-10-7-6-8-11-21)35(5)27(33(26,3)14-13-28(34)43-32)16-23-25(42-35)17-24(40-31(23)38)22-12-9-15-36-19-22/h6-12,15-17,19,26,28-29H,13-14,18,20H2,1-5H3/t26-,28?,29+,33+,34+,35+/m1/s1
InChI key： GTXDAGVLZMUQCX-CHYHPYBASA-N
SMILES： CC1(C)OC[C@]2(C)C(CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccccc2)[C@@]2(C)Oc4cc(oc(=O)c4C=C32)c2cccnc2)O1
Systematic name  (3)：
  • 4,4a,4bβ,5,6,6a,12b,13,14,14a-デカヒドロ-6α-(ベンゾイルオキシ)-2,2,4aα,6aα,12bα-ペンタメチル-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,11S,12S,14R,15R)-1,11,15,18,18-ペンタメチル-5-オキソ-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 ベンゾアート
  • (1S,11S,12S,14R,15R)-1,11,15,18,18-pentamethyl-5-oxo-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 benzoate
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12b,13,14,14a-Decahydro-6α-(benzoyloxy)-2,2,4aα,6aα,12bα-pentamethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-11-one
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