Chem
J-GLOBAL ID:201407070071951713   Nikkaji number:J3.220.732D

6-Oxo-6H-pyran-3-carboxylic acid (3S)-3α-acetoxy-4β-(acetoxymethyl)-11-oxo-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-6α-yl ester

6-オキソ-6H-ピラン-3-カルボン酸(3S)-3α-アセトキシ-4β-(アセトキシメチル)-11-オキソ-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-6α-イル
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: C35H37NO12
Molecular formula furigana: C35-H37-N-O12
Molecular weight: 663.676
InChI: InChI=1S/C35H37NO12/c1-18(37)44-17-34(4)24-14-26(47-31(41)21-8-9-27(39)43-16-21)35(5)30(33(24,3)11-10-25(34)45-19(2)38)29(40)28-23(48-35)13-22(46-32(28)42)20-7-6-12-36-15-20/h6-9,12-13,15-16,24-26,29-30,40H,10-11,14,17H2,1-5H3/t24-,25+,26+,29+,30-,33+,34+,35-/m1/s1
InChI key: OJWSLIVETZNRBH-IZMNUZFJSA-N
SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(=O)oc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1)OC(=O)C
Systematic name  (3):
  • 6-オキソ-6H-ピラン-3-カルボン酸(3S)-3α-アセトキシ-4β-(アセトキシメチル)-11-オキソ-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-6α-イル
  • (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 2-オキソ-2H-ピラン-5-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 2-oxo-2H-pyran-5-carboxylate
Other name (1):
  • 6-Oxo-6H-pyran-3-carboxylic acid (3S)-3α-acetoxy-4β-(acetoxymethyl)-11-oxo-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-6α-yl ester
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