Chem
J-GLOBAL ID：200907095629450727   Nikkaji number：J1.319.066F

(3S)-3α,6α-Diacetoxy-4β-(butyryloxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one

(3S)-3α,6α-ジアセトキシ-4β-(ブチリルオキシメチル)-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
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： C33H41NO10
Molecular formula furigana： C33-H41-N-O10
Molecular weight： 611.688
InChI： InChI=1S/C33H41NO10/c1-7-9-26(37)40-17-32(5)23-15-25(42-19(3)36)33(6)29(31(23,4)12-11-24(32)41-18(2)35)28(38)27-22(44-33)14-21(43-30(27)39)20-10-8-13-34-16-20/h8,10,13-14,16,23-25,28-29,38H,7,9,11-12,15,17H2,1-6H3/t23-,24+,25+,28+,29-,31+,32+,33-/m1/s1
InChI key： RDSRASHMYGGOID-DXISFUKVSA-N
SMILES： CCCC(=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  (3)：
  • (3S)-3α,6α-ジアセトキシ-4β-(ブチリルオキシメチル)-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
  • [(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 ブタノアート
  • [(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 butanoate
Other name (1)：
  • (3S)-3α,6α-Diacetoxy-4β-(butyryloxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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