Chem
J-GLOBAL ID：200907083774089341   Nikkaji number：J15.763E

Crocoxanthin

クロコキサンチン
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： C40H54O
Molecular formula furigana： C40-H54-O
Molecular weight： 550.871
InChI： InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-23,25,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
InChI key： UNFSUWGHNYXWHO-SEHWBYMQSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C#CC1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(=CCCC1(C)C)C
Systematic name  (3)：
  • (3R,6′R)-7,8-ジデヒドロ-β,ε-カロテン-3-オール
  • (1R)-3,5,5-トリメチル-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-[(1R)-2,6,6-トリメチルシクロヘキサ-2-エン-1-イル]オクタデカ-3,5,7,9,11,13,15,17-オクタエン-1-イン-1-イル]シクロヘキサ-3-エン-1-オール
  • (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol
Other name (3)：
  • クロコキサンチン
  • Crocoxanthin
  • (3R,6′R)-7,8-Didehydro-β,ε-caroten-3-ol
CAS registry number： 21284-10-6
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