Chem
J-GLOBAL ID：200907083028026016   Nikkaji number：J779.812A

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-2,2,4aα,6aα,12bα-pentamethyl-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-(ペンタノイルオキシ)-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： C33H43NO7
Molecular formula furigana： C33-H43-N-O7
Molecular weight： 565.707
InChI： InChI=1S/C33H43NO7/c1-7-8-11-28(35)39-27-17-24-31(4,13-12-26-32(24,5)19-37-30(2,3)41-26)25-15-21-23(40-33(25,27)6)16-22(38-29(21)36)20-10-9-14-34-18-20/h9-10,14,16,18,24-27H,7-8,11-13,15,17,19H2,1-6H3/t24-,25-,26+,27+,31+,32+,33+/m1/s1
InChI key： VHVCEJQVAMCROM-XJNIHPEGSA-N
SMILES： CCCCC(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@@]23C)[C@H]2Cc3c(O[C@]12C)cc(oc3=O)c1cccnc1
Systematic name  (3)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α-(ペンタノイルオキシ)-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,2R,11S,12S,14R,15R,20S)-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-4(9),7-ジエン-12-イル ペンタノアート
  • (1S,2R,11S,12S,14R,15R,20S)-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-4(9),7-dien-12-yl pentanoate
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-2,2,4aα,6aα,12bα-pentamethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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