Hyptadienic acid

Base Information

• Chemical Name: Hyptadienic acid
• CAS No.: 128397-09-1
• Molecular Formula: C30H46 O4
• Molecular Weight: 126
• ChEMBL ID: CHEMBL1164447
• DSSTox Substance ID: DTXSID701316623
• Metabolomics Workbench ID: 122438
• Nikkaji Number: J1.256.025G
• Wikidata: Q104400527
• Mol file: 128397-09-1.mol

Synonyms:Hyptadienic acid;128397-09-1;(3aS,5aR,5bS,7aS,10R,11R,11aS,13aS,13bS)-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,11,13b-heptamethyl-4,5,6,7,8,9,10,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid;hyptasienic acid;CHEMBL1164447;DTXSID701316623;A(1)-Norursa-2,12-dien-28-oic acid, 19-hydroxy-2-(hydroxymethyl)-;(+)-Hyptadienic acid;Coleonolic acid;HY-N4024;AKOS026674266;FS-10285;CS-0024468;Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylic acid, 3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-, (3beta,3'alpha,4beta,4'alpha,8alpha,9beta,10alpha,13alpha,14beta)-

Chemical Property of Hyptadienic acid

Chemical Property:

• PSA: 77.76000
• LogP: 5.98200
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 470.33960994
• Heavy Atom Count: 34
• Complexity: 978

Purity/Quality:

98%min ^*data from raw suppliers

(+)-Hyptadienicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=CC5(C)C)CO)C)C)C2C1(C)O)C)C(=O)O
• Isomeric SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C(=CC5(C)C)CO)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O