Chem
J-GLOBAL ID：200907004659941231   Nikkaji number：J372.643F

2,22-Dideoxyecdysone

2,22-ジデオキシエクジソン
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： C27H44O4
Molecular formula furigana： C27-H44-O4
Molecular weight： 432.645
InChI： InChI=1S/C27H44O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,19-,20+,22+,25-,26-,27-/m1/s1
InChI key： CRCTVUFFBCIURJ-DJHAZVFJSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 3β,14,25-トリヒドロキシ-5β-コレスタ-7-エン-6-オン
  • (1R,3aS,5aR,7S,9aR,9bR,11aR)-3a,7-ジヒドロキシ-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-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,9aR,9bR,11aR)-3a,7-dihydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-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)：
  • 2,22-Dideoxyecdysone
  • 2,22-ジデオキシエクジソン
  • 3β,14,25-Trihydroxy-5β-cholest-7-en-6-one
KEGG COMPOUND： C16494
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