Chem
J-GLOBAL ID：200907050327337065   Nikkaji number：J39.049F

3-Epiecdysone

3-エピエクジソン
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： C27H44O6
Molecular formula furigana： C27-H44-O6
Molecular weight： 464.643
InChI： InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22-,23-,25+,26+,27+/m0/s1
InChI key： UPEZCKBFRMILAV-LVRQXCCVSA-N
SMILES： C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R)-2β,3α,14,22,25-ペンタヒドロキシ-5β-コレスタ-7-エン-6-オン
  • (1R,3aS,5aR,7S,8S,9aR,9bR,11aR)-1-[(2S,3R)-3,6-ジヒドロキシ-6-メチルヘプタン-2-イル]-3a,7,8-トリヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-オン
  • (1R,3aS,5aR,7S,8S,9aR,9bR,11aR)-1-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (3)：
  • 3-エピエクジソン
  • 3-Epiecdysone
  • (22R)-2β,3α,14,22,25-Pentahydroxy-5β-cholest-7-en-6-one
KEGG COMPOUND： C16496
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