Basic information
- CAS
66419-09-8- Standard SMILES
CC1CC(O)C2(O)OC3CC4(C)C(CC3OC2O1)CC1OC12C4C(O)C(=O)C1(C)C(C3=CC(=O)OC3)CCC12O- InChIKey
FKJNCBGJYUAKQQ-UHFFFAOYSA-N- Molecular formula
- C29H38O11
- Average molar mass
- 562.6 g/mol
- Monoisotopic mass
- 562.24141202
Names & identifiers
- Preferred name
- 3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacosan-4-one
- IUPAC
- 3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacosan-4-one
Database identifiers
- CAS
66419-09-8- PubChem CID
- 4482829
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 1
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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