Chem
J-GLOBAL ID:200907025742411284   Nikkaji number:J2.226.925I

Rediocide G

レジオシドG
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: C46H54O13
Molecular formula furigana: C46-H54-O13
Molecular weight: 814.925
InChI: InChI=1S/C46H54O13/c1-25-22-32-43(52)35(25)55-33(48)17-11-10-16-31(54-39(49)29-12-6-4-7-13-29)28-20-18-27(19-21-28)23-41(3,51)45(53)36-26(2)44(32)34(37-42(24-47,56-37)40(43)50)38(45)58-46(57-36,59-44)30-14-8-5-9-15-30/h4-17,25-28,31-32,34-38,40,47,50-53H,18-24H2,1-3H3/b16-10-,17-11-/t25-,26+,27?,28?,31+,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46-/m0/s1
InChI key: VAEBJJRRTFBWLJ-XFSOCFHHSA-N
SMILES: C[C@H]1C[C@@H]2[C@@]3(O)[C@H]1OC(=O)/C=C\C=C/[C@@H](OC(=O)c1ccccc1)C1CCC(CC1)C[C@@](C)(O)[C@]1(O)[C@H]4O[C@]5(O[C@@H]1[C@H]([C@@H]1O[C@]1(CO)[C@H]3O)[C@]2(O5)[C@@H]4C)c1ccccc1
Systematic name  (3):
  • (2S,6aα,10bβ)-3α,8-[(3E,5Z,7S,13R)-2-オキソ-7-(ベンゾイルオキシ)-13-ヒドロキシ-8,11-エタノ-1-オキサテトラデカン-3,5-ジエン-1,13-ジイル]-2α,10β-ジメチル-5-(ヒドロキシメチル)-7β,9β,10aβ-[(S)-ベンジリジントリスオキシ]-5β,6β-エポキシテトラデカヒドロベンゾ[e]アズレン-3aα,4α,8β-トリオール
  • (3R,4S,5S,6R,7R,9S,11R,12S,13S,15R,16S,17S,18R,20S,21S,24Z,26Z,28S)-3,4,16,17-テトラヒドロキシ-15-(ヒドロキシメチル)-3,6,20-トリメチル-23-オキソ-9-フェニル-8,10,14,22,34-ペンタオキサオクタシクロ[27.2.2.15,9.04,11.07,12.07,18.013,15.017,21]テトラトリアコンタ-24,26-ジエン-28-イル ベンゾアート
  • (3R,4S,5S,6R,7R,9S,11R,12S,13S,15R,16S,17S,18R,20S,21S,24Z,26Z,28S)-3,4,16,17-tetrahydroxy-15-(hydroxymethyl)-3,6,20-trimethyl-23-oxo-9-phenyl-8,10,14,22,34-pentaoxaoctacyclo[27.2.2.15,9.04,11.07,12.07,18.013,15.017,21]tetratriaconta-24,26-dien-28-yl benzoate
Other name (3):
  • (2S,6aα,10bβ)-3α,8-[(3E,5Z,7S,13R)-2-Oxo-7-(benzoyloxy)-13-hydroxy-8,11-ethano-1-oxatetradecane-3,5-diene-1,13-diyl]-2α,10β-dimethyl-5-(hydroxymethyl)-7β,9β,10aβ-[(S)-benzylidynetrisoxy]-5β,6β-epoxytetradecahydrobenzo[e]azulene-3aα,4α,8β-triol
  • レジオシドG
  • Rediocide G
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