Basic information
- CAS
100785-98-6- Standard SMILES
C=C1CC[C@@H]2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1- InChIKey
FCWYNTDTQPCVPG-SMVUYSJCSA-N- Molecular formula
- C24H30O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.21440943
Names & identifiers
- Preferred name
- Colladonin
- IUPAC
- 7-[[(4aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
Names & synonyms
ColladoninNSC655152100785-98-67-[[(4aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-oneSCHEMBL30033984DTXSID50905738NSC-655152NCI60_0190797-[(6-Hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one7-{[(4aS)-6-Hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]methoxy}-2H-1-benzopyran-2-one
Database identifiers
- CAS
100785-98-6- PubChem CID
- 375430
- DTXSID
DTXSID50905738
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…