Chem
J-GLOBAL ID：200907084035693105   Nikkaji number：J1.319.064J

(3S)-3α,6α-Diacetoxy-4β-(methylsulfonyloxymethyl)-1,3,4,4aβ,5,6,6a,12b-octahydro-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-(メチルスルホニルオキシメチル)-1,3,4,4aβ,5,6,6a,12b-オクタヒドロ-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： C30H35NO10S
Molecular formula furigana： C30-H35-N-O10-S
Molecular weight： 601.670
InChI： InChI=1S/C30H35NO10S/c1-17(32)38-25-9-10-28(3)23(29(25,4)16-37-42(6,35)36)14-26(39-18(2)33)30(5)24(28)12-20-22(41-30)13-21(40-27(20)34)19-8-7-11-31-15-19/h7-8,11-13,15,23,25-26H,9-10,14,16H2,1-6H3/t23-,25+,26+,28+,29+,30+/m1/s1
InChI key： FISOWQPWKAPMGX-DADQZCODSA-N
SMILES： CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)C)[C@@]3(C)Oc4cc(oc(=O)c4C=C23)c2cccnc2)[C@]1(C)COS(=O)(=O)C
Systematic name  (3)：
  • (3S)-3α,6α-ジアセトキシ-4β-(メチルスルホニルオキシメチル)-1,3,4,4aβ,5,6,6a,12b-オクタヒドロ-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)-6-(アセチルオキシ)-8-[(メタンスルホニルオキシ)メチル]-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-デカヒドロ-2,5-ジオキサテトラフェン-9-イル アセタート
  • (5aS,6S,7aR,8R,9S,11aS)-6-(acetyloxy)-8-[(methanesulfonyloxy)methyl]-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a-decahydro-2,5-dioxatetraphen-9-yl acetate
Other name (1)：
  • (3S)-3α,6α-Diacetoxy-4β-(methylsulfonyloxymethyl)-1,3,4,4aβ,5,6,6a,12b-octahydro-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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