Chem
J-GLOBAL ID：200907013981340919   Nikkaji number：J2.484.867A

Ipomoeaxanthin C1

イポモエアキサンチンC1
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： C40H58O3
Molecular formula furigana： C40-H58-O3
Molecular weight： 586.901
InChI： InChI=1S/C40H58O3/c1-30(19-13-20-32(3)23-28-40(42)37(7,8)25-16-27-39(40,10)41)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)43-34/h11-14,17-23,28-29,34,41-42H,15-16,24-27H2,1-10H3/b12-11+,19-13+,21-14+,28-23+,30-17+,31-18+,32-20+,33-22+/t34-,38-,39-,40+/m1/s1
InChI key： ZORQKKBTVVCHRR-UCRCIGOTSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\[C@@H]1O[C@]2(C)CCCC(C)(C)C2=C1)/C=C/C=C(\C)/C=C/[C@]1(O)C(C)(C)CCC[C@@]1(C)O
Systematic name  (3)：
  • (5R,5′R,6S,8′R)-5′,8′-エポキシ-5,5′,6,8′-テトラヒドロ-β,β-カロテン-5,6-ジオール
  • (1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2R,7aR)-4,4,7a-トリメチル-2,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-2-イル]-3,7,12-トリメチルヘプタデカ-1,3,5,7,9,11,13,15-オクタエン-1-イル]-1,3,3-トリメチルシクロヘキサン-1,2-ジオール
  • (1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2R,7aR)-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-1,3,3-trimethylcyclohexane-1,2-diol
Other name (3)：
  • (5R,5′R,6S,8′R)-5′,8′-Epoxy-5,5′,6,8′-tetrahydro-β,β-carotene-5,6-diol
  • イポモエアキサンチンC1
  • Ipomoeaxanthin C1
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