Corosin
Basic information
- CAS
53527-49-4- Standard SMILES
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O- InChIKey
FYGSMJAMPMZYFS-UHFFFAOYSA-N- Molecular formula
- C30H46O7
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.3243538
Overview
Corosin is a triterpenoid.
Names & identifiers
- Preferred name
- Corosin
- IUPAC
- 2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
- English name
- (4R)-2α,3β,19α-Trihydroxyurs-12-ene-23,28-dioic acid
- Molecular formula
- C30H46O7
- Molecular weight
- 518.69
Names & synonyms
Corosin2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acidRefChem:108222353527-49-4CapsularoneVismiaefolic acid2,3,19-trihydroxyurs-12-ene-23,28-dioic acidTrachelosperogenin ADTXSID80301608CHEBI:167968NSC144943NSC-144943
Show more names
(4R)-2α,3β,19α-Trihydroxyurs-12-ene-23,28-dioic acidUrs-12-ene-23,28-dioic acid, 2,3,19-trihydroxy-, (2α,3β,4β)-
Database identifiers
- CAS
53527-49-4- PubChem CID
- 286498
- DTXSID
DTXSID80301608- ChEBI
CHEBI:167968
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,050
Experimental & physicochemical properties
Melting Point300 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 670.1 · 670.1±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: Corosin is a triterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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