Chem
J-GLOBAL ID:200907017596546323   Nikkaji number:J2.107.931F

1,5,6,7,8,8a-Hexahydro-2-acetoxy-5,5,8aβ-trimethylnaphthalene-1α-carboxylic acid (1R,3R,4S)-p-menthane-3-yl ester

1,5,6,7,8,8a-ヘキサヒドロ-2-アセトキシ-5,5,8aβ-トリメチルナフタレン-1α-カルボン酸(1R,3R,4S)-p-メンタン-3-イル
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: C26H40O4
Molecular formula furigana: C26-H40-O4
Molecular weight: 416.602
InChI: InChI=1S/C26H40O4/c1-16(2)19-10-9-17(3)15-21(19)30-24(28)23-20(29-18(4)27)11-12-22-25(5,6)13-8-14-26(22,23)7/h11-12,16-17,19,21,23H,8-10,13-15H2,1-7H3/t17-,19+,21-,23+,26+/m1/s1
InChI key: NCHLROGBVSWQFR-DCQKNOSJSA-N
SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C(=CC=C2C(C)(C)CCC[C@]12C)OC(=O)C
Systematic name  (3):
  • 1,5,6,7,8,8a-ヘキサヒドロ-2-アセトキシ-5,5,8aβ-トリメチルナフタレン-1α-カルボン酸(1R,3R,4S)-p-メンタン-3-イル
  • (1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル (1S,8aR)-2-(アセチルオキシ)-5,5,8a-トリメチル-1,5,6,7,8,8a-ヘキサヒドロナフタレン-1-カルボキシラート
  • (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (1S,8aR)-2-(acetyloxy)-5,5,8a-trimethyl-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate
Other name (1):
  • 1,5,6,7,8,8a-Hexahydro-2-acetoxy-5,5,8aβ-trimethylnaphthalene-1α-carboxylic acid (1R,3R,4S)-p-menthane-3-yl ester
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