Chem
J-GLOBAL ID：200907020315667560
Nikkaji number：J779.788E
(3S)-3α,6α-Diacetoxy-4β-(methylsulfonyloxymethyl)-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-(メチルスルホニルオキシメチル)-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 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
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
Molecular formula： C30H37NO11S
Molecular formula furigana： C30-H37-N-O11-S
Molecular weight： 619.680
InChI：
InChI=1S/C30H37NO11S/c1-16(32)39-22-9-10-28(3)21(29(22,4)15-38-43(6,36)37)13-23(40-17(2)33)30(5)26(28)25(34)24-20(42-30)12-19(41-27(24)35)18-8-7-11-31-14-18/h7-8,11-12,14,21-23,25-26,34H,9-10,13,15H2,1-6H3/t21-,22+,23+,25+,26-,28+,29+,30-/m1/s1
InChI key：
QPFVDQXJUPDSKK-WPHYFFDCSA-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)c4[C@H](O)[C@H]23)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,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-(アセチルオキシ)-12-ヒドロキシ-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,11b,12-ドデカヒドロ-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,11bS,12R)-6-(acetyloxy)-12-hydroxy-8-[(methanesulfonyloxy)methyl]-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-9-yl acetate
- (3S)-3α,6α-Diacetoxy-4β-(methylsulfonyloxymethyl)-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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