Chem
J-GLOBAL ID：200907017764559010   Nikkaji number：J779.816D

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-2α,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-(ペンタノイルオキシ)-12α-ヒドロキシ-2α,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： C32H41NO8
Molecular formula furigana： C32-H41-N-O8
Molecular weight： 567.679
InChI： InChI=1S/C32H41NO8/c1-6-7-10-25(34)40-24-15-22-30(3,12-11-23-31(22,4)17-37-18(2)38-23)28-27(35)26-21(41-32(24,28)5)14-20(39-29(26)36)19-9-8-13-33-16-19/h8-9,13-14,16,18,22-24,27-28,35H,6-7,10-12,15,17H2,1-5H3/t18-,22-,23+,24+,27+,28-,30+,31+,32-/m1/s1
InChI key： WGTZZBDMYJYVJF-PJVKRXHCSA-N
SMILES： CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(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)-12α-ヒドロキシ-2α,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-ヒドロキシ-1,11,15,18-テトラメチル-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,2S,3R,11S,12S,14R,15R,18R,20S)-3-hydroxy-1,11,15,18-tetramethyl-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)-12α-hydroxy-2α,4aα,6aα,12bα-tetramethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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