Lycernuic acid A

Base Information

• Chemical Name: Lycernuic acid A
• CAS No.: 53755-77-4
• Molecular Formula: C30H48O4
• Molecular Weight: 472.7
• DSSTox Substance ID: DTXSID801098204
• Wikidata: Q105235892
• ChEMBL ID: CHEMBL452254
• Mol file: 53755-77-4.mol

Synonyms:Lycernuic acid A;53755-77-4;Lycornuic acid A;(4R)-3beta,21beta-Dihydroxy-C(14a)-homo-27-norgammacer-14-en-23-oic acid;CHEMBL452254;DTXSID801098204;AKOS032961684;(3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-4-carboxylic acid;(3S,6R,7R,8S,11R,12S,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid;C(14a)-Homo-27-norgammacer-14-en-23-oic acid, 3,21-dihydroxy-, (3,4,21)

Chemical Property of Lycernuic acid A

Chemical Property:

• Melting Point: 322-324 °C(Solv: methanol (67-56-1); chloroform (67-66-3))
• Boiling Point: 595.0±50.0 °C(Predicted)
• PKA: 4.51±0.70(Predicted)
• PSA: 77.76000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 6.20440
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 472.35526001
• Heavy Atom Count: 34
• Complexity: 892

Purity/Quality:

98%Min ^*data from raw suppliers

LycernuicacidA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(CCC2(C1CC=C3C2CCC4C(C3)(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C)O)C
• Isomeric SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@@H]([C@]3(C)C(=O)O)O)C