Chem
J-GLOBAL ID：200907092143663851   Nikkaji number：J779.104F

Erinacine E

エリナシンE
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： C25H36O6
Molecular formula furigana： C25-H36-O6
Molecular weight： 432.557
InChI： InChI=1S/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3/t15-,17-,18-,19+,20?,21+,22-,23-,24+,25-/m1/s1
InChI key： YUCYEVHMFBEBSC-JQSYYSEJSA-N
SMILES： CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@H](O[C@@H]6OC[C@](O)([C@@H]4O)[C@H](O)[C@]56O)[C@]3(C)CC[C@@]2(C)CC1
Systematic name  (1)：
  • (1R,2S,4S,7S,8R,9E,12R,14R,20R,21R,22S)-1,14-ジメチル-19-イソプロピル-7,4,2,9-[1,2]プロパンジイル[3]イリデン-14,13-[1]プロパニル[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-7,8,21,22-テトラオール
Other name (6)：
  • エリナシンE
  • Erinacine E
  • (1R,2S,4S,7S,8R,9E,12R,14R,20R,21R,22S)-1,14-Dimethyl-19-isopropyl-7,4,2,9-[1,2]propanediyl[3]ylidene-14,13-[1]propanyl[3]ylidene-3,5-dioxabicyclo[10.4.0]hexadec-9-ene-7,8,21,22-tetrol
  • (-)-エリナシンE
  • (-)-Erinacine E
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CAS registry number： 178232-25-2
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