Chem
J-GLOBAL ID:200907027203472370   Nikkaji number:J1.051.298K

3aβ,4β-Dihydroxy-7-(4-methylphenyl)-8aα-methyl-3,3a,4,5,8,8a-hexahydroazulene-1(2H)-one

3aβ,4β-ジヒドロキシ-7-(4-メチルフェニル)-8aα-メチル-3,3a,4,5,8,8a-ヘキサヒドロアズレン-1(2H)-オン
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: C18H22O3
Molecular formula furigana: C18-H22-O3
Molecular weight: 286.371
InChI: InChI=1S/C18H22O3/c1-12-3-5-13(6-4-12)14-7-8-16(20)18(21)10-9-15(19)17(18,2)11-14/h3-7,16,20-21H,8-11H2,1-2H3/t16-,17-,18-/m0/s1
InChI key: IOJVEDBPFLNPLY-BZSNNMDCSA-N
SMILES: Cc1ccc(cc1)C1=CC[C@H](O)[C@@]2(O)CCC(=O)[C@]2(C)C1
Systematic name  (3):
  • 3aβ,4β-ジヒドロキシ-7-(4-メチルフェニル)-8aα-メチル-3,3a,4,5,8,8a-ヘキサヒドロアズレン-1(2H)-オン
  • (3aR,4S,8aR)-3a,4-ジヒドロキシ-8a-メチル-7-(4-メチルフェニル)-1,2,3,3a,4,5,8,8a-オクタヒドロアズレン-1-オン
  • (3aR,4S,8aR)-3a,4-dihydroxy-8a-methyl-7-(4-methylphenyl)-1,2,3,3a,4,5,8,8a-octahydroazulen-1-one
Other name (1):
  • 3aβ,4β-Dihydroxy-7-(4-methylphenyl)-8aα-methyl-3,3a,4,5,8,8a-hexahydroazulene-1(2H)-one
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