Chem
J-GLOBAL ID:200907053407047130   Nikkaji number:J2.013.117I

2-Hydroxy-5-methyl-7-methoxy-1-naphthoic acid 2α,5α-dihydroxy-3-cyclopentene-1β-yl ester

2-ヒドロキシ-5-メチル-7-メトキシ-1-ナフトエ酸2α,5α-ジヒドロキシ-3-シクロペンテン-1β-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: C18H18O6
Molecular formula furigana: C18-H18-O6
Molecular weight: 330.336
InChI: InChI=1S/C18H18O6/c1-9-7-10(23-2)8-12-11(9)3-4-13(19)16(12)18(22)24-17-14(20)5-6-15(17)21/h3-8,14-15,17,19-21H,1-2H3/t14-,15+,17?
InChI key: XILHLKXLRFUQFI-FKEKPDDDSA-N
SMILES: COc1cc(C)c2ccc(O)c(C(=O)OC3[C@@H](O)C=C[C@H]3O)c2c1
Systematic name  (3):
  • 2-ヒドロキシ-5-メチル-7-メトキシ-1-ナフトエ酸2α,5α-ジヒドロキシ-3-シクロペンテン-1β-イル
  • (2R,5S)-2,5-ジヒドロキシシクロペンタ-3-エン-1-イル 2-ヒドロキシ-7-メトキシ-5-メチルナフタレン-1-カルボキシラート
  • (2R,5S)-2,5-dihydroxycyclopent-3-en-1-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
Other name (1):
  • 2-Hydroxy-5-methyl-7-methoxy-1-naphthoic acid 2α,5α-dihydroxy-3-cyclopentene-1β-yl ester
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