Chem
J-GLOBAL ID：200907034745533290   Nikkaji number：J1.605.417H

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

(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-4,4′-ジオール
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： C40H60O2
Molecular formula furigana： C40-H60-O2
Molecular weight： 572.918
InChI： InChI=1S/C40H60O2/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/h11-24,33-38,41-42H,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-,38-/m0/s1
InChI key： JNTVTBGQHNNOKM-IRXOIFFMSA-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)CCC1(C)C)/C)/C
Systematic name  (3)：
  • (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-4,4′-ジオール
  • (1S,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-オール
  • (1S,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-ol
Other name (1)：
  • (4S,4′S,5S,5′S,6S,6′S)-5,5′,6,6′-Tetrahydro-β,β-carotene-4,4′-diol
Thsaurus map：
Thesaurus Map

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