Chem
J-GLOBAL ID：201507014798927351   Nikkaji number：J3.348.976E

Kaurallexin B3

カウラレキシンB3
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： C20H28O3
Molecular formula furigana： C20-H28-O3
Molecular weight： 316.441
InChI： InChI=1S/C20H28O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11-13,15-16H,3-10H2,1-2H3,(H,22,23)/t13-,15-,16+,18+,19-,20+/m1/s1
InChI key： MNWRXDQYFZSZMN-GKBWTKQCSA-N
SMILES： C[C@]1(CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(=O)O)C=O
Systematic name  (3)：
  • 18-オキソカウラ-15-エン-17-酸
  • (1S,4S,5R,9S,10S,13R)-5-ホルミル-5,9-ジメチルテトラシクロ[11.2.1.01,10.04,9]ヘキサデカ-14-エン-14-カルボン酸
  • (1S,4S,5R,9S,10S,13R)-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
Other name (3)：
  • 18-Oxokaura-15-ene-17-oic acid
  • カウラレキシンB3
  • Kaurallexin B3
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