Mahuannin C
Basic information
- CAS
87686-71-3- Standard SMILES
Oc1ccc([C@@H]2Oc3cc4c(c(O)c3C[C@@H]2O)[C@@H]2c3c(O)cc(O)cc3O[C@@](c3ccc(O)cc3)(O4)[C@@H]2O)cc1- InChIKey
FYHHLMRXXMJAPQ-GWGCLVKJSA-N- Molecular formula
- C30H24O10
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.13694696
Names & identifiers
- Preferred name
- Mahuannin C
- IUPAC
- (1S,6S,7S,13S,21R)-7,13-bis(4-hydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
Names & synonyms
Mahuannin C87686-71-36,14-Methano-10H,14H-(1)benzopyrano(7,6-d)(1,3)benzodioxocin-1,3,11,13,15-pentol, 11,12-dihydro-6,10-bis(4-hydroxyphenyl)-, (6S,10S,11S,14S,15R)-RefChem:155313DTXSID901007731(6S,10S,11S,14S,15R)-6,10-Bis(4-hydroxyphenyl)-11,12-dihydro-6H,10H,14H-6,14-methano-5,7,9-trioxabenzo[4,5]cycloocta[1,2-b]naphthalene-1,3,11,13,15-pentol6,10-Bis(4-hydroxyphenyl)-11,12-dihydro-6H,10H,14H-6,14-methano-5,7,9-trioxabenzo[4,5]cycloocta[1,2-b]naphthalene-1,3,11,13,15-pentol
Database identifiers
- CAS
87686-71-3- PubChem CID
- 159133
- DTXSID
DTXSID901007731
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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