Chem
J-GLOBAL ID：200907020469735932   Nikkaji number：J1.319.087I

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

(3S)-3α-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-6α,12α-ジヒドロキシ-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： C29H35NO9
Molecular formula furigana： C29-H35-N-O9
Molecular weight： 541.597
InChI： InChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-21(33)29(5)25(27(20,3)9-8-22(28)37-16(2)32)24(34)23-19(39-29)11-18(38-26(23)35)17-7-6-10-30-13-17/h6-7,10-11,13,20-22,24-25,33-34H,8-9,12,14H2,1-5H3/t20-,21+,22+,24+,25-,27+,28+,29-/m1/s1
InChI key： LGGJSHGJCMYMKU-CALNWBCTSA-N
SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1)OC(=O)C
Systematic name  (3)：
  • (3S)-3α-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-6α,12α-ジヒドロキシ-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)-9-(アセチルオキシ)-6,12-ジヒドロキシ-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)-9-(acetyloxy)-6,12-dihydroxy-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 (1)：
  • (3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α,12α-dihydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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