Milanjilactone B
Basic information
- CAS
73210-85-2- Standard SMILES
CC(C)C1OC(=O)C=C2C1=CC1OC(=O)C3(C)CC=CC2(C)C13- InChIKey
UGIMLHRNXYTEFO-UHFFFAOYSA-N- Molecular formula
- C19H22O4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15180918
Names & identifiers
- Preferred name
- Milanjilactone B
- IUPAC
- 1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione
- English name
- (3aS)-3,3a,5aβ,7,10b,10cβ-Hexahydro-3a,10bα-dimethyl-7β-(1-methylethyl)-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione
- Molecular formula
- C19H22O4
- Molecular weight
- 314.38
Names & synonyms
NSC30945073210-85-2MILANJILACTONE BDTXSID80316959NSC-3094503a,10b-Dimethyl-7-(propan-2-yl)-3,3a,5a,7,10b,10c-hexahydro-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione(3aS)-3,3a,5aβ,7,10b,10cβ-Hexahydro-3a,10bα-dimethyl-7β-(1-methylethyl)-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione4H,9H-Furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione, 3,3a,5a,7,10b,10c-hexahydro-3a,10b-dimethyl-7-(1-methylethyl)-, (3aS,5aR,7R,10bS,10cR)- (9CI)
Database identifiers
- CAS
73210-85-2- PubChem CID
- 328848
- DTXSID
DTXSID80316959
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 698
Physicochemical properties
- Boiling point
- 540.8 · 540.8±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…