Chem
J-GLOBAL ID:200907018482887518   Nikkaji number:J2.364.277H

(1S,2R,4R,5S)-4,5-Dimethyl-1-[2,3,4,4a,5a,6,6a,8,9,10,10aβ,11aβ,12,12aβ-tetradecahydro-4aα,5aα,6aα-trimethyl-8β-[(benzyloxy)methyl]-9α-(benzyloxy)-1,5,7,11-tetraoxanaphthacene-2α-yl]-7-octene-1,2-diol

(1S,2R,4R,5S)-1-[(2S,4aR,5aS,6aR,8S,9R,10aS,11aR,12aS)-9-(ベンジルオキシ)-8-[(ベンジルオキシ)メチル]-4a,5a,6a-トリメチル-テトラデカヒドロ-1,5,7,11-テトラオキサテトラセン-2-イル]-4,5-ジメチルオクタ-7-エン-1,2-ジオール
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: C42H60O8
Molecular formula furigana: C42-H60-O8
Molecular weight: 692.934
InChI: InChI=1S/C42H60O8/c1-7-14-28(2)29(3)21-32(43)39(44)33-19-20-40(4)37(47-33)23-38-42(6,50-40)27-41(5)36(48-38)22-34(46-25-31-17-12-9-13-18-31)35(49-41)26-45-24-30-15-10-8-11-16-30/h7-13,15-18,28-29,32-39,43-44H,1,14,19-27H2,2-6H3/t28-,29+,32+,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m0/s1
InChI key: IPJIEAADVIZCIC-MFCOZBKHSA-N
SMILES: C[C@@H](CC=C)[C@H](C)C[C@@H](O)[C@H](O)[C@@H]1CC[C@@]2(C)O[C@@]3(C)C[C@@]4(C)O[C@@H](COCc5ccccc5)[C@@H](C[C@@H]4O[C@@H]3C[C@@H]2O1)OCc1ccccc1
Systematic name  (3):
  • (1S,2R,4R,5S)-4,5-ジメチル-1-[2,3,4,4a,5a,6,6a,8,9,10,10aβ,11aβ,12,12aβ-テトラデカヒドロ-4aα,5aα,6aα-トリメチル-8β-[(ベンジルオキシ)メチル]-9α-(ベンジルオキシ)-1,5,7,11-テトラオキサナフタセン-2α-イル]-7-オクテン-1,2-ジオール
  • (1S,2R,4R,5S)-1-[(2S,4aR,5aS,6aR,8S,9R,10aS,11aR,12aS)-9-(ベンジルオキシ)-8-[(ベンジルオキシ)メチル]-4a,5a,6a-トリメチル-テトラデカヒドロ-1,5,7,11-テトラオキサテトラセン-2-イル]-4,5-ジメチルオクタ-7-エン-1,2-ジオール
  • (1S,2R,4R,5S)-1-[(2S,4aR,5aS,6aR,8S,9R,10aS,11aR,12aS)-9-(benzyloxy)-8-[(benzyloxy)methyl]-4a,5a,6a-trimethyl-tetradecahydro-1,5,7,11-tetraoxatetracen-2-yl]-4,5-dimethyloct-7-ene-1,2-diol
Other name (1):
  • (1S,2R,4R,5S)-4,5-Dimethyl-1-[2,3,4,4a,5a,6,6a,8,9,10,10aβ,11aβ,12,12aβ-tetradecahydro-4aα,5aα,6aα-trimethyl-8β-[(benzyloxy)methyl]-9α-(benzyloxy)-1,5,7,11-tetraoxanaphthacene-2α-yl]-7-octene-1,2-diol
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