Chem
J-GLOBAL ID:200907076772137261   Nikkaji number:J576.787C

3-Dehydroecdysone

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: C27H42O6
Molecular formula furigana: C27-H42-O6
Molecular weight: 462.627
InChI: InChI=1S/C27H42O6/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/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,23-,25+,26+,27+/m0/s1
InChI key: GDSSFVCRVUQMRG-OSCDMYCUSA-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)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • (22R)-2β,14,22,25-テトラヒドロキシ-5β-コレスタ-7-エン-3,6-ジオン
  • (1R,3aS,5aR,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,8-ジヒドロキシ-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,8S,9aR,9bR,11aR)-1-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-3a,8-dihydroxy-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):
  • 3-デヒドロエクジソン
  • 3-Dehydroecdysone
  • (22R)-2β,14,22,25-Tetrahydroxy-5β-cholest-7-ene-3,6-dione
CAS registry number: 39750-00-0
KEGG COMPOUND: C02513
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