Chem
J-GLOBAL ID：200907086384511181   Nikkaji number：J17.229D

Isozonarol

イソゾナロール
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： C21H30O2
Molecular formula furigana： C21-H30-O2
Molecular weight： 314.469
InChI： InChI=1S/C21H30O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h6-8,12,17,19,22-23H,5,9-11,13H2,1-4H3/t17-,19-,21+/m1/s1
InChI key： ZEAWLOAAKXIHKG-QFUCXCTJSA-N
SMILES： CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1cc(O)ccc1O
Systematic name  (3)：
  • 2-[[(1R)-1,4,4aβ,5,6,7,8,8a-オクタヒドロ-2,5,5,8aα-テトラメチルナフタレン-1α-イル]メチル]-1,4-ベンゼンジオール
  • 2-{[(1R,4aR,8aR)-2,5,5,8a-テトラメチル-1,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]メチル}ベンゼン-1,4-ジオール
  • 2-{[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diol
Other name (3)：
  • イソゾナロール
  • Isozonarol
  • 2-[[(1R)-1,4,4aβ,5,6,7,8,8a-Octahydro-2,5,5,8aα-tetramethylnaphthalen-1α-yl]methyl]-1,4-benzenediol
CAS registry number： 39707-55-6
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