Chem
J-GLOBAL ID：200907010398437549   Nikkaji number：J973.946G

Obtuanhydride

オブツアンヒドリド
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： C20H26O4
Molecular formula furigana： C20-H26-O4
Molecular weight： 330.424
InChI： InChI=1S/C20H26O4/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)16(20)18(23)24-17(13)22/h9-11,16,21H,6-8H2,1-5H3/t16-,20+/m0/s1
InChI key： GTORZGSMKNNFDU-OXJNMPFZSA-N
SMILES： CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C(=O)OC2=O
Systematic name  (3)：
  • 2-[(1S)-1,3,3-トリメチル-2β-カルボキシシクロヘキサン-1α-イル]-4-ヒドロキシ-5-イソプロピル安息香酸無水物
  • (2S,7S)-14-ヒドロキシ-2,6,6-トリメチル-13-(プロパン-2-イル)-9-オキサトリシクロ[9.4.0.02,7]ペンタデカ-1(11),12,14-トリエン-8,10-ジオン
  • (2S,7S)-14-hydroxy-2,6,6-trimethyl-13-(propan-2-yl)-9-oxatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-8,10-dione
Other name (3)：
  • 2-[(1S)-1,3,3-Trimethyl-2β-carboxycyclohexane-1α-yl]-4-hydroxy-5-isopropylbenzoic anhydride
  • オブツアンヒドリド
  • Obtuanhydride
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