Chem
J-GLOBAL ID：200907079044518100   Nikkaji number：J646.661C

Pyripyropene A

ピリピロペンA
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： C31H37NO10
Molecular formula furigana： C31-H37-N-O10
Molecular weight： 583.634
InChI： InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22-,23+,24+,26+,27-,29+,30+,31-/m1/s1
InChI key： PMMQOFWSZRQWEV-RVTXXDJVSA-N
SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)C)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1)OC(=O)C
Systematic name  (4)：
  • (3S)-3α,6α-ジアセトキシ-4β-アセトキシメチル-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11-オン
  • 二酢酸(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-アセトキシメチル-12-ヒドロキシ-4,6a,12b-トリメチル-11-オキソ-9-(3-ピリジル)-1,2,3,4,4a,5,6,6a,12a,12b-デカヒドロ-11H,12H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-3,6-ジイル
  • [(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6,9-ビス(アセチルオキシ)-12-ヒドロキシ-5a,8,11a-トリメチル-1-オキソ-3-(ピリジン-3-イル)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-ドデカヒドロ-2,5-ジオキサテトラフェン-8-イル]メチル アセタート
  • [(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6,9-bis(acetyloxy)-12-hydroxy-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl acetate
Other name (6)：
  • ピリピロペンA
  • Pyripyropene A
  • (+)-ピリピロペンA
  • (+)-Pyripyropene A
  • Diacetic acid (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-acetoxymethyl-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridyl)-1,2,3,4,4a,5,6,6a,12a,12b-decahydro-11H,12H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl ester
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CAS registry number： 147444-03-9
Regulation number (1)：
  • 8-(1)-3292
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