Chem
J-GLOBAL ID：200907052248924136   Nikkaji number：J2.567.491J

3-Dehydro-2-deoxyecdysone

3-デヒドロ-2-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： C27H42O5
Molecular formula furigana： C27-H42-O5
Molecular weight： 446.628
InChI： InChI=1S/C27H42O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-16,18-19,21-22,29,31-32H,6-14H2,1-5H3/t16-,18+,19-,21-,22+,25+,26+,27+/m0/s1
InChI key： PDQPHVPWJVSDEA-IHTFJKPZSA-N
SMILES： C[C@H]([C@H](O)CCC(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  (4)：
  • (22R)-14,22,25-トリヒドロキシ-5β-コレスタ-7-エン-3,6-ジオン
  • (22R)-14α,22,25-トリヒドロキシ-5β-コレスタ-7-エン-3,6-ジオン
  • (1R,3aS,5aR,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-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-5,7-ジオン
  • (1R,3aS,5aR,9aR,9bR,11aR)-1-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-3a-hydroxy-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 (4)：
  • (22R)-14,22,25-Trihydroxy-5β-cholesta-7-ene-3,6-dione
  • (22R)-14α,22,25-Trihydroxy-5β-cholesta-7-ene-3,6-dione
  • 3-Dehydro-2-deoxyecdysone
  • 3-デヒドロ-2-デオキシエクジソン
KEGG COMPOUND： C16497
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