spinosic acid A

Base Information

• Chemical Name: spinosic acid A
• CAS No.: 32205-23-5
• Molecular Formula: C30H48O4
• Molecular Weight: 472.69972
• DSSTox Substance ID: DTXSID801248471
• Metabolomics Workbench ID: 28744
• Nikkaji Number: J17.814D
• Wikidata: Q27119773
• Mol file: 32205-23-5.mol

Synonyms:spinosic acid A;Spinossaeure;32205-23-5;3beta,19beta-dihydroxyolean-12-en-28-oic acid;(1R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;CHEBI:39212;DTXSID801248471;LMPR0106150005;Q27119773;(3I(2),19I(2))-3,19-Dihydroxyolean-12-en-28-oic acid

Chemical Property of spinosic acid A

Chemical Property:

• Vapor Pressure: 3.49E-16mmHg at 25°C
• Boiling Point: 586.2°C at 760 mmHg
• Flash Point: 322.4°C
• PSA: 77.76000
• Density: 1.14g/cm³
• LogP: 6.20440
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 472.35526001
• Heavy Atom Count: 34
• Complexity: 919

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1O)C)C(=O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@H](C(CC5)(C)C)O)C(=O)O)C)C)(C)C)O