8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8S,14R,15R)-
Basic information
- CAS
82796-37-0- Standard SMILES
Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)C3O)C[C@H]2O)cc1- InChIKey
LQRHGTVFFPMWCG-OUWOJJBZSA-N- Molecular formula
- C30H24O10
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.13694696
Names & identifiers
- Preferred name
- 8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8S,14R,15R)-
- IUPAC
- (1R,5R,6R,13S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Names & synonyms
8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8S,14R,15R)-
Database identifiers
- CAS
82796-37-0- PubChem CID
- 158255
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 905
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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