Chem
J-GLOBAL ID：200907066618396380   Nikkaji number：J1.319.074G

(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-(benzoyloxy)-12α-hydroxy-4,12bα-dimethyl-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-(ベンゾイルオキシ)-12α-ヒドロキシ-4,12bα-ジメチル-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： C35H37NO10
Molecular formula furigana： C35-H37-N-O10
Molecular weight： 631.678
InChI： InChI=1S/C35H37NO10/c1-19(37)42-18-35(4)26-16-25(46-32(40)21-9-6-5-7-10-21)31-29(34(26,3)13-12-27(35)43-20(2)38)30(39)28-24(44-31)15-23(45-33(28)41)22-11-8-14-36-17-22/h5-11,14-15,17,25-27,29-31,39H,12-13,16,18H2,1-4H3/t25-,26+,27-,29-,30-,31?,34-,35-/m0/s1
InChI key： GGINGOSVRLHOKR-PAQPAYIJSA-N
SMILES： CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1)C1Oc3cc(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-(ベンゾイルオキシ)-12α-ヒドロキシ-4,12bα-ジメチル-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
  • (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-8,11a-ジメチル-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 ベンゾアート
  • (6S,7aR,8R,9S,11aS,11bS,12R)-9-(acetyloxy)-8-[(acetyloxy)methyl]-12-hydroxy-8,11a-dimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-6-yl benzoate
Other name (1)：
  • (3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-(benzoyloxy)-12α-hydroxy-4,12bα-dimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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