Chem
J-GLOBAL ID：200907048697592965   Nikkaji number：J39.047J

Inokosterone

イノコステロン
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(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
InChI key： JQNVCUBPURTQPQ-XDWLXSIGSA-N
SMILES： CC(CO)CC[C@@H](O)[C@](C)(O)[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  (4)：
  • (20R,22R)-2β,3β,14α,20,22,26-ヘキサヒドロキシ-5β-コレスタ-7-エン-6-オン
  • (22R)-2β,3β,14,20,22,26-ヘキサヒドロキシ-5β-コレスタ-7-エン-6-オン
  • (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-トリヒドロキシ-9a,11a-ジメチル-1-[(2R,3R)-2,3,7-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
  • (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,7-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 (6)：
  • イノコステロン
  • Inokosterone
  • (22R)-2β,3β,14,20,22,26-Hexahydroxy-5β-cholest-7-en-6-one
  • (20R,22R)-2β,3β,14α,20,22,26-Hexahydroxy-5β-cholest-7-en-6-one
  • Callinecdysone A
Show all
CAS registry number： 15130-85-5
KEGG COMPOUND： C08819 ,  C16992
Application (1)：
natural insecticide
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