Chem
J-GLOBAL ID：200907050993970457   Nikkaji number：J261.872I

Glycinoeclepin A

グリシノエクレピンA
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： C25H34O7
Molecular formula furigana： C25-H34-O7
Molecular weight： 446.540
InChI： InChI=1S/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13-,16-,17+,23+,24+,25+/m1/s1
InChI key： XOLYVYHBERHQBZ-FMNVCWJRSA-N
SMILES： C[C@H](CC(=O)O)[C@]1(C)CC=C2C(=C(C[C@]34CC[C@H](O3)C(C)(C)C4=O)C[C@@H](O)[C@@]12C)C(=O)O
Systematic name  (3)：
  • (1S,βR)-4-カルボキシ-5-[[(1S,4S)-3,3-ジメチル-2-オキソ-7-オキサビシクロ[2.2.1]ヘプタン-1-イル]メチル]-2,6,7,7a-テトラヒドロ-7β-ヒドロキシ-β,1,7aα-トリメチル-1H-インデン-1α-プロパン酸
  • (1S,7R,7aS)-1-[(2R)-1-カルボキシプロパン-2-イル]-5-{[(1S,4S)-3,3-ジメチル-2-オキソ-7-オキサビシクロ[2.2.1]ヘプタン-1-イル]メチル}-7-ヒドロキシ-1,7a-ジメチル-2,6,7,7a-テトラヒドロ-1H-インデン-4-カルボン酸
  • (1S,7R,7aS)-1-[(2R)-1-carboxypropan-2-yl]-5-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-7-hydroxy-1,7a-dimethyl-2,6,7,7a-tetrahydro-1H-indene-4-carboxylic acid
Other name (3)：
  • Glycinoeclepin A
  • グリシノエクレピンA
  • (1S,βR)-4-Carboxy-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-2,6,7,7a-tetrahydro-7β-hydroxy-β,1,7aα-trimethyl-1H-indene-1α-propanoic acid
CAS registry number： 83216-10-8
KEGG COMPOUND： C08765
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