Isolactarorufin
Basic information
- CAS
62024-77-5- Standard SMILES
CC1(C)CC2C(C1)C(C)(O)C13CC1(COC3=O)C2O- InChIKey
VXHVLJHZFYIFJE-UHFFFAOYSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-one has been reported in Lactarius with data available.
Names & identifiers
- Preferred name
- Isolactarorufin
- IUPAC
- 2,8-dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-one
Names & synonyms
62024-77-5ISOLACTARORUFIN2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-oneLactarorufin CNSC312034orb1992107SCHEMBL28264087DTXSID80977564AKOS040734638NSC-312034NCGC00385871-01T124537
Show more names
4,8-Dihydroxy-6,6,8-trimethylhexahydro-1H,3H,4H-3a,8a-methanoindeno[5,6-c]furan-1-oneNCGC00385871-01_C15H22O4_2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]tridecan-10-one
Database identifiers
- CAS
62024-77-5- PubChem CID
- 329432
- DTXSID
DTXSID80977564
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 487
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…