Chem
J-GLOBAL ID:200907085381242639   Nikkaji number:J1.999.720K

1β-(Hydroxymethyl)-3aα-methyl-5α-hydroxy-2,3,3a,4,5,9bβ-hexahydro-1H-cyclopenta[a]naphthalene-4α-carboxylic acid ethyl ester

1β-(ヒドロキシメチル)-3aα-メチル-5α-ヒドロキシ-2,3,3a,4,5,9bβ-ヘキサヒドロ-1H-シクロペンタ[a]ナフタレン-4α-カルボン酸エチル
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: C18H24O4
Molecular formula furigana: C18-H24-O4
Molecular weight: 304.386
InChI: InChI=1S/C18H24O4/c1-3-22-17(21)15-16(20)13-7-5-4-6-12(13)14-11(10-19)8-9-18(14,15)2/h4-7,11,14-16,19-20H,3,8-10H2,1-2H3/t11-,14+,15+,16-,18-/m1/s1
InChI key: CUNUFKOTJRWKPV-PTERYMMESA-N
SMILES: CCOC(=O)[C@@H]1[C@H](O)c2ccccc2[C@@H]2[C@@H](CO)CC[C@@]12C
Systematic name  (3):
  • 1β-(ヒドロキシメチル)-3aα-メチル-5α-ヒドロキシ-2,3,3a,4,5,9bβ-ヘキサヒドロ-1H-シクロペンタ[a]ナフタレン-4α-カルボン酸エチル
  • エチル (1S,3aR,4S,5S,9bR)-5-ヒドロキシ-1-(ヒドロキシメチル)-3a-メチル-1H,2H,3H,3aH,4H,5H,9bH-シクロペンタ[a]ナフタレン-4-カルボキシラート
  • ethyl (1S,3aR,4S,5S,9bR)-5-hydroxy-1-(hydroxymethyl)-3a-methyl-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalene-4-carboxylate
Other name (1):
  • 1β-(Hydroxymethyl)-3aα-methyl-5α-hydroxy-2,3,3a,4,5,9bβ-hexahydro-1H-cyclopenta[a]naphthalene-4α-carboxylic acid ethyl ester
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