Chem
J-GLOBAL ID：200907006357950536
Nikkaji number：J1.605.420H
(4′S,5S,5′S,6S,6′S)-4′-Hydroxy-5,5′,6,6′-tetrahydro-β,β-carotene-4-one
(4′S,5S,5′S,6S,6′S)-4′-ヒドロキシ-5,5′,6,6′-テトラヒドロ-β,β-カロテン-4-オン
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
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
Molecular formula： C40H58O2
Molecular formula furigana： C40-H58-O2
Molecular weight： 570.902
InChI：
InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,37-/m0/s1
InChI key：
PTEUXLLYOIVZFO-CDSIZDLZSA-N
SMILES：
C[C@@H]1[C@@H](O)CCC(C)(C)[C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C)/C)/C
Systematic name (3)：
- (4′S,5S,5′S,6S,6′S)-4′-ヒドロキシ-5,5′,6,6′-テトラヒドロ-β,β-カロテン-4-オン
- (2S,3S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,5S,6S)-5-ヒドロキシ-2,2,6-トリメチルシクロヘキシル]-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]-2,4,4-トリメチルシクロヘキサン-1-オン
- (2S,3S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,5S,6S)-5-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohexan-1-one
- (4′S,5S,5′S,6S,6′S)-4′-Hydroxy-5,5′,6,6′-tetrahydro-β,β-carotene-4-one
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