Chem
J-GLOBAL ID:200907052872289437   Nikkaji number:J1.319.083F

(3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6-[(tetrahydro-2H-pyran-2-yl)oxy]-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-6-[(テトラヒドロ-2H-ピラン-2-イル)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: C34H43NO10
Molecular formula furigana: C34-H43-N-O10
Molecular weight: 625.715
InChI: InChI=1S/C34H43NO10/c1-19(36)41-18-33(4)24-16-26(44-27-10-6-7-14-40-27)34(5)30(32(24,3)12-11-25(33)42-20(2)37)29(38)28-23(45-34)15-22(43-31(28)39)21-9-8-13-35-17-21/h8-9,13,15,17,24-27,29-30,38H,6-7,10-12,14,16,18H2,1-5H3/t24-,25+,26?,27?,29+,30-,32+,33+,34-/m1/s1
InChI key: BHKBLWUTPUWHRG-QATUWNJVSA-N
SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC(OC1CCCCO1)[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-6-[(テトラヒドロ-2H-ピラン-2-イル)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,7aR,8R,9S,11aS,11bS,12R)-9-(アセチルオキシ)-12-ヒドロキシ-5a,8,11a-トリメチル-6-(オキサン-2-イルオキシ)-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,7aR,8R,9S,11aS,11bS,12R)-9-(acetyloxy)-12-hydroxy-5a,8,11a-trimethyl-6-(oxan-2-yloxy)-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 (1):
  • (3S)-3α-Acetoxy-4β-(acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-6-[(tetrahydro-2H-pyran-2-yl)oxy]-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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