Chem
J-GLOBAL ID:200907055611268806
Nikkaji number:J522.341E
9-cis-Lutein
9-cis-ルテイン
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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 O2
Molecular formula furigana:
C40-H56-O2
Molecular weight:
568.886
InChI:
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20-/t35-,36+,37-/m0/s1
InChI key:
KBPHJBAIARWVSC-HPIWMWCCSA-N
SMILES:
C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(=C[C@H](O)CC1(C)C)C
Systematic name (4):
(3R,3′R,9Z)-β,ε-カロテン-3,3′-ジオール
(3R,3′R,6′R,9Z)-β,ε-カロテン-3,3′-ジオール
(1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-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-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-3,5,5-トリメチルシクロヘキサ-2-エン-1-オール
(1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol
Other name (8):
CAS registry number:
29414-89-9
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