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Ent-kaur-16-en-19-oic acid

  • Formula: C20H30O2

  • Molecular weight: 302.50

  • Smiles: CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O

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Ent-kaur-16-en-19-oic acid

Names
Structural Information
Physico-chemical Properties
ADME
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Names

  • Mycotoxin name: Ent-kaur-16-en-19-oic acid

  • First synonym: Kaurenoic acid

  • Synonyms: Kaurenoic acid,Kauren-19-oic acid,Ent-kaurenoic acid,Kaurenic acid,6730-83-2,Kaur-16-en-18-oic acid,CHEBI:15417,Kaur-16-en-18-oic acid, (4alpha)-,ent-Kaur-16-en-19-oic acid,(-)-Kaur-16-en-19-oic acid,CCRIS 1514,(4R,4aS,6aS,9R,11aR,11bS)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid,NSC 339145,kaurenoate,Cunabic acid,NSC339145,NSC-339145,3beta-hydroxy-kaurenoic acid,CHEMBL489140,Ent-kaur-16-en-18-oic acid,SCHEMBL21803663,HY-N1469,ZINC4102257,BDBM50466103,MFCD03700717,s9439,ent-Kaur-16(17)-en-19-oic acid,CCG-267494,AS-56534,Kaurenoic acid, >=95% (LC/MS-ELSD),CS-0016962,Q27089430,(5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid,(1S,9S,5R,13R)-5,9-dimethyl-14-methylenetetracyclo[11.2.1.0<1,10>.0<4,9>]hexadecane-5-carboxylic acid

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Structure

  • Smiles: CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O

  • Isomeric smiles: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)O

  • Inchi: InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1

  • Inchikey: NIKHGUQULKYIGE-OTCXFQBHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H30O2

  • Molecular weight: 302.50

  • Monoisotopic mass: 302.224580195

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