Chem
J-GLOBAL ID：201007029384419550   Nikkaji number：J2.802.768K

2,22-Dideoxy-3-dehydroecdysone

2,22-ジデオキシ-3-デヒドロエクジソン
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： C27H42O4
Molecular formula furigana： C27-H42-O4
Molecular weight： 430.629
InChI： InChI=1S/C27H42O4/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/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1
InChI key： ADJIOBLYKGQIDH-NOVLVJNXSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 14α,25-ジヒドロキシ-5β-コレスタ-7-エン-3,6-ジオン
  • (1R,3aS,5aR,9aR,9bR,11aR)-3a-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-5,7-ジオン
  • (1R,3aS,5aR,9aR,9bR,11aR)-3a-hydroxy-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]phenanthrene-5,7-dione
Other name (3)：
  • 14α,25-Dihydroxy-5β-cholesta-7-ene-3,6-dione
  • 2,22-Dideoxy-3-dehydroecdysone
  • 2,22-ジデオキシ-3-デヒドロエクジソン
KEGG COMPOUND： C16498
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