Chem
J-GLOBAL ID：200907017196633430
Nikkaji number：J1.319.084D
(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-(butyryloxy)-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-(ブチリルオキシ)-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： C33H41NO10
Molecular formula furigana： C33-H41-N-O10
Molecular weight： 611.688
InChI：
InChI=1S/C33H41NO10/c1-7-9-26(37)43-25-15-23-31(4,12-11-24(41-19(3)36)32(23,5)17-40-18(2)35)29-28(38)27-22(44-33(25,29)6)14-21(42-30(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：
IPYSJXKYXXWJFN-DXISFUKVSA-N
SMILES：
CCCC(=O)O[C@H]1C[C@H]2[C@](C)(COC(=O)C)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)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-(ブチリルオキシ)-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)-8-[(アセチルオキシ)メチル]-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-6-イル ブタノアート
- (5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9-(acetyloxy)-8-[(acetyloxy)methyl]-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-6-yl butanoate
- (3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-(butyryloxy)-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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