Chem
J-GLOBAL ID:200907019091576611
Nikkaji number:J2.236.913J 6-Epiheteroxanthin 6-エピヘテロキサンチン
Download MOL file 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: C40 H56 O4 Molecular formula furigana:
C40-H56-O4
Molecular weight:
600.884
InChI:
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
InChI key:
ZEXQVPRPMQVOFT-GHIQLMQGSA-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@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
Systematic name (3): (3S,3′R,5R,6S)-7′,8′-ジデヒドロ-5,6-ジヒドロ-β,β-カロテン-3,3′,5,6-テトラオール (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-1,3,5,7,9,11,13,15-オクタエン-17-イン-1-イル]-2,6,6-トリメチルシクロヘキサン-1,2,4-トリオール (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol Other name (3): (3S,3′R,5R,6S)-7′,8′-Didehydro-5,6-dihydro-β,β-carotene-3,3′,5,6-tetraol 6-エピヘテロキサンチン 6-Epiheteroxanthin Thsaurus map: Return to Previous Page