Chem
J-GLOBAL ID：200907063977223301   Nikkaji number：J674.606C

Torulene

トルレン
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： C40H54
Molecular formula furigana： C40-H54
Molecular weight： 534.872
InChI： InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13?,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
InChI key： AIBOHNYYKWYQMM-GELUXPMISA-N
SMILES： CC(=CC=C/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)C
Systematic name  (3)：
  • 3′,4′-ジデヒドロ-β,ψ-カロテン
  • 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-ヘキサメチルペンタコサ-1,3,5,7,9,11,13,15,17,19,21,23-ドデカエン-1-イル]-1,3,3-トリメチルシクロヘキサ-1-エン
  • 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene
Other name (3)：
  • トルレン
  • Torulene
  • 3′,4′-Didehydro-β,ψ-carotene
CAS registry number： 547-23-9
KEGG COMPOUND： C08613
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