Chem
J-GLOBAL ID：200907021204357649   Nikkaji number：J779.106B

Erinacine G

エリナシン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： C25H36O8
Molecular formula furigana： C25-H36-O8
Molecular weight： 464.555
InChI： InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3/t14-,16-,17?,19+,20?,21?,22-,23-,24?,25?/m1/s1
InChI key： HVLLJUVTXKLMKW-PWEREOCZSA-N
SMILES： CC(C)C(=O)CC[C@]1(C)CC[C@@]2(C)[C@H]3OC4OCC5(O)C(O)C(=CC[C@@H]2C1=O)[C@H]3C4(O)C5O
Systematic name  (3)：
  • (1R,2S,9E,12S,14S,17R)-1,14-ジメチル-7,8,18,19-テトラヒドロキシ-14-(3-オキソ-4-メチルペンチル)-7,4,2,9-[1,2]プロパンジイル[3]イリデン-3,5-ジオキサビシクロ[10.4.0]ヘキサデカ-9-エン-13-オン
  • (6S,7R,10S,12S,16R)-1,17,18,19-テトラヒドロキシ-7,10-ジメチル-10-(4-メチル-3-オキソペンチル)-3,5-ジオキサペンタシクロ[13.3.1.04,17.06,16.07,12]ノナデカ-14-エン-11-オン
  • (6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.04,17.06,16.07,12]nonadec-14-en-11-one
Other name (3)：
  • エリナシンG
  • Erinacine G
  • (1R,2S,9E,12S,14S,17R)-1,14-Dimethyl-7,8,18,19-tetrahydroxy-14-(3-oxo-4-methylpentyl)-7,4,2,9-[1,2]propanediyl[3]ylidene-3,5-dioxabicyclo[10.4.0]hexadec-9-en-13-one
Thsaurus map：
Thesaurus Map

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