Chem
J-GLOBAL ID：200907034187289140   Nikkaji number：J397.798F

Dehydrohautriwaic acid

デヒドロハウトリワ酸
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/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h3-5,8,11-12,14,17,21H,6-7,9-10,13H2,1-2H3,(H,22,23)/t14-,17-,19+,20-/m1/s1
InChI key： XLOARMGSPCGDKT-SIKIZQCASA-N
SMILES： C[C@@H]1CC[C@]2(CO)[C@H](C=CC=C2C(=O)O)[C@@]1(C)CCc1ccoc1
Systematic name  (4)：
  • (5α,8α,9S,10β)-15,16-エポキシ-18-ヒドロキシクレロダ-1,3,13(16),14-テトラエン-19-酸
  • (4aR)-5β-[2-(3-フリル)エチル]-5,6α-ジメチル-8aα-(ヒドロキシメチル)-4aβ,5,6,7,8,8a-ヘキサヒドロナフタレン-1-カルボン酸
  • (4aR,5S,6R,8aS)-5-[2-(フラン-3-イル)エチル]-8a-(ヒドロキシメチル)-5,6-ジメチル-4a,5,6,7,8,8a-ヘキサヒドロナフタレン-1-カルボン酸
  • (4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Other name (4)：
  • (5α,8α,9S,10β)-15,16-Epoxy-18-hydroxycleroda-1,3,13(16),14-tetren-19-oic acid
  • (4aR)-5β-[2-(3-Furyl)ethyl]-5,6α-dimethyl-8aα-(hydroxymethyl)-4aβ,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
  • デヒドロハウトリワ酸
  • Dehydrohautriwaic acid
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