Chem
J-GLOBAL ID:200907002673944038   Nikkaji number:J864.649J

Palmitic acid [(1aS,4aS,5aα,8aβ)-4H-4aβ,5β-epoxy-octahydro-7,7,8bα-trimethylcycloprop[4,5]indeno[5,6-c]furan]-2β-yl ester

パルミチン酸[(1aS,4aS,5aα,8aβ)-4H-4aβ,5β-エポキシ-オクタヒドロ-7,7,8bα-トリメチルシクロプロパ[4,5]インデノ[5,6-c]フラン]-2β-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: C31H52O4
Molecular formula furigana: C31-H52-O4
Molecular weight: 488.753
InChI: InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(32)34-27-30-21-29(30,4)24-20-28(2,3)19-23(24)26-31(30,35-26)22-33-27/h23-24,26-27H,5-22H2,1-4H3/t23-,24-,26-,27+,29+,30-,31-/m0/s1
InChI key: DDEWTUXXHCPJQF-OTEUGFAYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1OC[C@]23O[C@H]2[C@H]2CC(C)(C)C[C@@H]2[C@@]2(C)C[C@@]132
Systematic name  (3):
  • パルミチン酸[(1aS,4aS,5aα,8aβ)-4H-4aβ,5β-エポキシ-オクタヒドロ-7,7,8bα-トリメチルシクロプロパ[4,5]インデノ[5,6-c]フラン]-2β-イル
  • (1S,3S,4S,8S,9R,11S,12R)-6,6,9-トリメチル-2,13-ジオキサペンタシクロ[9.3.0.01,3.04,8.09,11]テトラデカン-12-イル ヘキサデカノアート
  • (1S,3S,4S,8S,9R,11S,12R)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl hexadecanoate
Other name (1):
  • Palmitic acid [(1aS,4aS,5aα,8aβ)-4H-4aβ,5β-epoxy-octahydro-7,7,8bα-trimethylcycloprop[4,5]indeno[5,6-c]furan]-2β-yl ester
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