Chem
J-GLOBAL ID：200907005775347580   Nikkaji number：J1.034.237F

(1R)-1β-Isopropyl-3aβ,6-dimethyl-4α-(angeloyloxy)-1,2,3,3a,4,7,8,8a-octahydroazulene-8aβ-ol

(1R)-1β-イソプロピル-3aβ,6-ジメチル-4α-(アンゲロイルオキシ)-1,2,3,3a,4,7,8,8a-オクタヒドロアズレン-8aβ-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： C20H32O3
Molecular formula furigana： C20-H32-O3
Molecular weight： 320.473
InChI： InChI=1S/C20H32O3/c1-7-15(5)18(21)23-17-12-14(4)8-11-20(22)16(13(2)3)9-10-19(17,20)6/h7,12-13,16-17,22H,8-11H2,1-6H3/b15-7-/t16-,17-,19-,20+/m1/s1
InChI key： MOIRVQWYMSQLSJ-JFQVTATKSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@H](CC[C@]12C)C(C)C
Systematic name  (4)：
  • (Z)-2-メチル-2-ブテン酸[1,2,3,3a,4,7,8,8a-オクタヒドロ-8aβ-ヒドロキシ-3aβ,6-ジメチル-1β-イソプロピルアズレン-4α-イル]
  • (1R)-1β-イソプロピル-3aβ,6-ジメチル-4α-(アンゲロイルオキシ)-1,2,3,3a,4,7,8,8a-オクタヒドロアズレン-8aβ-オール
  • (1R,3aR,4R,8aS)-8a-ヒドロキシ-3a,6-ジメチル-1-(プロパン-2-イル)-1,2,3,3a,4,7,8,8a-オクタヒドロアズレン-4-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl (2Z)-2-methylbut-2-enoate
Other name (2)：
  • (Z)-2-Methyl-2-butenoic acid [1,2,3,3a,4,7,8,8a-octahydro-8aβ-hydroxy-3aβ,6-dimethyl-1β-isopropylazulene-4α-yl] ester
  • (1R)-1β-Isopropyl-3aβ,6-dimethyl-4α-(angeloyloxy)-1,2,3,3a,4,7,8,8a-octahydroazulene-8aβ-ol
Thsaurus map：
Thesaurus Map

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