Chem
J-GLOBAL ID:200907010660494583   Nikkaji number:J2.243.561B

7,8-Didehydro-β-cryptoxanthin

7,8-ジデヒドロ-β-クリプトキサンチン
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/h11-14,16-21,23,25,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
InChI key: UNJKJDIRJWIHLL-BQLQDKTLSA-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/C1=C(C)CCCC1(C)C
Systematic name  (3):
  • (3R)-7,8-ジデヒドロ-β,β-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-(2,6,6-トリメチルシクロヘキサ-1-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-(2,6,6-trimethylcyclohex-1-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):
  • (3R)-7,8-Didehydro-β,β-carotene-3-ol
  • 7,8-Didehydro-β-cryptoxanthin
  • 7,8-ジデヒドロ-β-クリプトキサンチン
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