Basic information
- CAS
80186-91-0- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c2c(OC(C)=O)c(C3CCC(C)(C)O3)cc(OC(C)=O)c12- InChIKey
PQOXULXHXDVIML-UHFFFAOYSA-N- Molecular formula
- C24H26O9
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.1576824
Overview
a naphthazarin; structure in first source
Names & identifiers
- Preferred name
- Cycloalkannin leucoacetate
- IUPAC
- [4,5,8-triacetyloxy-6-(5,5-dimethyloxolan-2-yl)naphthalen-1-yl] acetate
- English name
- cycloalkannin leucoacetate
- Molecular formula
- C24H26O9
- Molecular weight
- 458.46
Names & synonyms
Cycloalkannin leucoacetateCyclo-alkannin leucoacetate80186-91-01,4,5,8-Naphthalenetetrol, 2-(tetrahydro-5,5-dimethyl-2-furanyl)-, tetraacetateRefChem:129348[4,5,8-triacetyloxy-6-(5,5-dimethyloxolan-2-yl)naphthalen-1-yl] acetateCYCLOSHIKONIN LEUCOACETATEDTXSID201001087NSC289511NSC-2895112-(5,5-Dimethyloxolan-2-yl)naphthalene-1,4,5,8-tetrayl tetraacetate1,4,5,8-Naphthalenetetrol, 2-(tetrahydro-5,5-dimethyl-2-furanyl)-, 1,4,5,8-tetraacetate
Database identifiers
- CAS
80186-91-0- PubChem CID
- 133409
- DTXSID
DTXSID201001087
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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