Chem
J-GLOBAL ID：200907054831557489   Nikkaji number：J19.151E

Thiothece-474

チオテス474
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： C41H58O2
Molecular formula furigana： C41-H58-O2
Molecular weight： 582.913
InChI： InChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+
InChI key： VOXGPKABGLVWPB-XBIRMVLJSA-N
SMILES： COC(C)(C)CCC(=O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)/C)/C
Systematic name  (3)：
  • 1′,2′-ジヒドロ-1′-メトキシ-β,ψ-カロテン-4′-オン
  • (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-メトキシ-2,6,10,14,19,23-ヘキサメチル-25-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ペンタコサ-6,8,10,12,14,16,18,20,22,24-デカエン-5-オン
  • (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one
Other name (5)：
  • チオテス474
  • チオテス478
  • Thiothece-474
  • Thiothece-478
  • 1′,2′-Dihydro-1′-methoxy-β,ψ-caroten-4′-one
CAS registry number： 38647-31-3
KEGG COMPOUND： C16279
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