Chem
J-GLOBAL ID:200907036899004692   Nikkaji number:J1.217.244C

1β,4β-Dihydroxy-1,5,8,8aα-tetrahydro-5α,8α-methanonaphthalene-4aα(4H)-carboxylic acid methyl ester

1β,4β-ジヒドロキシ-1,5,8,8aα-テトラヒドロ-5α,8α-メタノナフタレン-4aα(4H)-カルボン酸メチル
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: C13H16O4
Molecular formula furigana: C13-H16-O4
Molecular weight: 236.267
InChI: InChI=1S/C13H16O4/c1-17-12(16)13-8-3-2-7(6-8)11(13)9(14)4-5-10(13)15/h2-5,7-11,14-15H,6H2,1H3/t7-,8+,9+,10-,11+,13+/m1/s1
InChI key: MNHCHDFBKOYYCQ-PEAMCHOPSA-N
SMILES: COC(=O)[C@]12[C@@H]3C[C@@H](C=C3)[C@H]1[C@@H](O)C=C[C@H]2O
Systematic name  (5):
  • (1R)-1α,4α-ジヒドロキシ-1,4,4aβ,5,8,8a-ヘキサヒドロ-5β,8β-メタノナフタレン-8aβ-カルボン酸メチル
  • (1S)-1β,4β-ジヒドロキシ-1,5,8,8aα-テトラヒドロ-5α,8α-メタノナフタレン-4aα(4H)-カルボン酸メチル
  • 1β,4β-ジヒドロキシ-1,5,8,8aα-テトラヒドロ-5α,8α-メタノナフタレン-4aα(4H)-カルボン酸メチル
  • メチル (1R,2R,3R,6S,7R,8S)-3,6-ジヒドロキシトリシクロ[6.2.1.02,7]ウンデカ-4,9-ジエン-2-カルボキシラート
  • methyl (1R,2R,3R,6S,7R,8S)-3,6-dihydroxytricyclo[6.2.1.02,7]undeca-4,9-diene-2-carboxylate
Other name (3):
  • (1R)-1α,4α-Dihydroxy-1,4,4aβ,5,8,8a-hexahydro-5β,8β-methanonaphthalene-8aβ-carboxylic acid methyl ester
  • (1S)-1β,4β-Dihydroxy-1,5,8,8aα-tetrahydro-5α,8α-methanonaphthalene-4aα(4H)-carboxylic acid methyl ester
  • 1β,4β-Dihydroxy-1,5,8,8aα-tetrahydro-5α,8α-methanonaphthalene-4aα(4H)-carboxylic acid methyl ester
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