4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)
Basic information
- CAS
63937-16-6- Standard SMILES
C[C@H]1CC[C@@H]2[NH+](CC3[C@]4(O)C[C@@]56O[C@@]7(O)C(CCC5[C@]4(O)C[C@H](O)[C@]3(O)[C@]2(C)O)[C@]6(C)CC[C@H]7O)C1.[Cl-]- InChIKey
BOPCVKJJANJMDO-IJLXEGJUSA-N- Molecular formula
- C27H44ClNO8
- Average molar mass
- 546.1 g/mol
- Monoisotopic mass
- 545.2755451
Names & identifiers
- Preferred name
- 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)
- IUPAC
- (1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol chloride
Names & synonyms
DTXSID209798404,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)RefChem:1069602DTXCID801407122Cevine hydrochloride dihydrateCevine HCl hydrate63937-16-6Cevane-3-alpha,4-beta,12,14,16-beta,20-heptol, 4,9-epoxy-, hydrochloride, dihydrate
Database identifiers
- CAS
63937-16-6- PubChem CID
- 22847
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 999
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Compound notes
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