Chem
J-GLOBAL ID：200907000136690124   Nikkaji number：J530.119J

26-Hydroxyecdysone

26-ヒドロキシエクジソン
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： C27H44O7
Molecular formula furigana： C27-H44-O7
Molecular weight： 480.642
InChI： InChI=1S/C27H44O7/c1-15(20(29)7-8-24(2,33)14-28)16-6-10-27(34)18-11-21(30)19-12-22(31)23(32)13-25(19,3)17(18)5-9-26(16,27)4/h11,15-17,19-20,22-23,28-29,31-34H,5-10,12-14H2,1-4H3/t15-,16+,17-,19-,20+,22+,23-,24?,25+,26+,27+/m0/s1
InChI key： CHEZKCVMQIAGLX-PBUSDRRUSA-N
SMILES： C[C@H]([C@H](O)CCC(C)(O)CO)[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,3β,14,22,25,26-ヘキサヒドロキシ-5β-コレスタ-7-エン-6-オン
  • (1R,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-トリヒドロキシ-9a,11a-ジメチル-1-[(2S,3R)-3,6,7-トリヒドロキシ-6-メチルヘプタン-2-イル]-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,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2S,3R)-3,6,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (3)：
  • (22R)-2β,3β,14,22,25,26-Hexahydroxy-5β-cholest-7-en-6-one
  • 26-Hydroxyecdysone
  • 26-ヒドロキシエクジソン
CAS registry number： 52717-49-4
KEGG COMPOUND： C16499
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