Basic information
- Standard SMILES
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O- InChIKey
NIDRYBLTWYFCFV-UHFFFAOYSA-N- Molecular formula
- C22H26O5
- Average molar mass
- 370.4 g/mol
Overview
calanolide has been reported in Calophyllum lanigerum with data available.
Names & identifiers
- Preferred name
- Calanolide
- IUPAC
- 18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Names & synonyms
Calanolide18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-one18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-oneRefChem:1080657MLS000756699NSC664737SCHEMBL29402951SCHEMBL30544160NIDRYBLTWYFCFV-UHFFFAOYSA-NNCGC00246860-01SMR0005291052,3,4,10,10-Pentamethyl-6-methylene-8-propyl-1,2,3,4,5,6,9,10-octahydro-triphenylene
Database identifiers
- PubChem CID
- 1201
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 666
Related reactions
22 records
Compound notes
Loading…