Chem
J-GLOBAL ID:200907001001495166   Nikkaji number:J1.319.081J

(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-[(3-pyridinyl)carbonyloxy]-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-[(3-ピリジニル)カルボニルオキシ]-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: C35H38N2O10
Molecular formula furigana: C35-H38-N2-O10
Molecular weight: 646.693
InChI: InChI=1S/C35H38N2O10/c1-19(38)43-18-34(4)25-15-27(46-31(41)22-9-7-13-37-17-22)35(5)30(33(25,3)11-10-26(34)44-20(2)39)29(40)28-24(47-35)14-23(45-32(28)42)21-8-6-12-36-16-21/h6-9,12-14,16-17,25-27,29-30,40H,10-11,15,18H2,1-5H3/t25-,26+,27+,29+,30-,33+,34+,35-/m1/s1
InChI key: CYTVAIIIWNCTSM-GXLBPMAQSA-N
SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccnc1)[C@@]1(C)Oc3cc(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-[(3-ピリジニル)カルボニルオキシ]-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)-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 ピリジン-3-カルボキシラート
  • (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 pyridine-3-carboxylate
Other name (1):
  • (3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6α-[(3-pyridinyl)carbonyloxy]-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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