Basic information
- CAS
114309-69-2- Standard SMILES
Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O- InChIKey
ONONBUNYLFASFU-UHFFFAOYSA-N- Molecular formula
- C29H30O7
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.19915329
Overview
structure given in first source
Names & identifiers
- Preferred name
- Mono-aldehyde gossypol
- IUPAC
- 2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-(1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalene-1-carbaldehyde
- English name
- mono-aldehyde gossypol
- Molecular formula
- C29H30O7
- Molecular weight
- 490.54
Names & synonyms
Mono-aldehyde gossypol114309-69-2DTXSID20150697RefChem:159524DTXCID8073188SCHEMBL17372966SCHEMBL22700784(2,2'-Binaphthalene)-8-carboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8-carbaldehyde[2,2'-Binaphthalene]-8-carboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-(1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalene-1-carbaldehyde
Database identifiers
- CAS
114309-69-2- PubChem CID
- 195071
- DTXSID
DTXSID20150697
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 773
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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