(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-[(1H-imidazole-1-yl)thioxomethyl]-12α-hydroxy-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-[(1H-イミダゾール-1-イル)チオキソメチル]-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

Decided structure
Molecular formula： C₃₃H₃₇N₃O₈S
Molecular formula furigana： C33-H37-N3-O8-S
Molecular weight： 635.730

InChI： InChI=1S/C33H37N3O8S/c1-18(37)41-16-32(4)24-13-21(29(45)36-12-11-35-17-36)33(5)28(31(24,3)9-8-25(32)42-19(2)38)27(39)26-23(44-33)14-22(43-30(26)40)20-7-6-10-34-15-20/h6-7,10-12,14-15,17,21,24-25,27-28,39H,8-9,13,16H2,1-5H3/t21-,24-,25+,27+,28-,31+,32+,33-/m1/s1

InChI key： FJJMDHIXIRWBQO-SQDACASGSA-N

SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](C(=S)n1ccnc1)[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-[(1H-イミダゾール-1-イル)チオキソメチル]-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)-9-(アセチルオキシ)-12-ヒドロキシ-6-(1H-イミダゾール-1-カルボチオイル)-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)-12-hydroxy-6-(1H-imidazole-1-carbothioyl)-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-[(1H-imidazole-1-yl)thioxomethyl]-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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