3,12,14,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
Basic information
- CAS
74133-46-3- Standard SMILES
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(C)(O)C(O)C(O)C2C13C- InChIKey
IIIGLEGIVYUBSZ-UHFFFAOYSA-N- Molecular formula
- C20H28O8
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.17841785
Names & identifiers
- Preferred name
- 3,12,14,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
- IUPAC
- 3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
Names & synonyms
NSC 318448
Database identifiers
- CAS
74133-46-3- PubChem CID
- 100033
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 778
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