Chem
J-GLOBAL ID：200907040063199631   Nikkaji number：J779.781H

(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-(phenylsulfonyloxy)-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-(フェニルスルホニルオキシ)-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
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： C35H39NO11S
Molecular formula furigana： C35-H39-N-O11-S
Molecular weight： 681.750
InChI： InChI=1S/C35H39NO11S/c1-20(37)43-19-34(4)26-17-28(47-48(41,42)23-11-7-6-8-12-23)35(5)31(33(26,3)14-13-27(34)44-21(2)38)30(39)29-25(46-35)16-24(45-32(29)40)22-10-9-15-36-18-22/h6-12,15-16,18,26-28,30-31,39H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,33+,34+,35-/m1/s1
InChI key： HCWFKOMUSBEPST-AZFDCEOKSA-N
SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OS(=O)(=O)c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1)OC(=O)C
Systematic name  (4)：
  • (3S)-3α-アセトキシ-6α-(フェニルスルホニルオキシ)-4β-(アセトキシメチル)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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
  • (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-(フェニルスルホニルオキシ)-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)-6-[(ベンゼンスルホニル)オキシ]-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-8-イル]メチル アセタート
  • [(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9-(acetyloxy)-6-[(benzenesulfonyl)oxy]-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-8-yl]methyl acetate
Other name (2)：
  • (3S)-3α-Acetoxy-6α-(phenylsulfonyloxy)-4β-(acetoxymethyl)-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-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-(phenylsulfonyloxy)-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM