Chem
J-GLOBAL ID：200907074408306691   Nikkaji number：J1.605.416J

(3S,4S,4′S,5S,5′S,6S,6′S)-5,5′,6,6′-Tetrahydro-β,β-carotene-3,4,4′-triol

(3S,4S,4′S,5S,5′S,6S,6′S)-5,5′,6,6′-テトラヒドロ-β,β-カロテン-3,4,4′-トリオール
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： C40H60O3
Molecular formula furigana： C40-H60-O3
Molecular weight： 588.917
InChI： InChI=1S/C40H60O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,32-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t32-,33-,34-,35-,36-,37-,38-/m0/s1
InChI key： UKZNVYFIFVPGRZ-ZOBCFDEBSA-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@H](O)[C@@H](O)CC1(C)C)/C)/C
Systematic name  (3)：
  • (3S,4S,4′S,5S,5′S,6S,6′S)-5,5′,6,6′-テトラヒドロ-β,β-カロテン-3,4,4′-トリオール
  • (1S,2S,3S,4S)-4-[(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]-3,5,5-トリメチルシクロヘキサン-1,2-ジオール
  • (1S,2S,3S,4S)-4-[(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]-3,5,5-trimethylcyclohexane-1,2-diol
Other name (1)：
  • (3S,4S,4′S,5S,5′S,6S,6′S)-5,5′,6,6′-Tetrahydro-β,β-carotene-3,4,4′-triol
Thsaurus map：
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