Basic information
- CAS
64396-81-2- Standard SMILES
C/C(=C\CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO- InChIKey
KHRXLABAHCIXIJ-DNTJNYDQSA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Overview
Mangiferadiol has been reported in Garcinia mangostana with data available.
Names & identifiers
- Preferred name
- Mangiferadiol
- IUPAC
- 15-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
MangiferadiolSCHEMBL29934414
Database identifiers
- CAS
64396-81-2- PubChem CID
- 131751908
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 784
Experimental & physicochemical properties
Melting Point154 - 155 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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