Antibiotic KM 214
Basic information
- CAS
59979-63-4- Standard SMILES
CC1=CC2C(O)C(C)CCC2C2C(=O)OC(=O)/C(C)=C3/CC(O)C(C)/C3=C/2C1/C=C/C=C/C=C(\C)CC(C)CC(C)CC(O)C(C)C(=O)O- InChIKey
JJIRJXPAKWKETG-PKBBRYSMSA-N- Molecular formula
- C41H58O8
- Average molar mass
- 678.9 g/mol
- Monoisotopic mass
- 678.4131688
Names & identifiers
- Preferred name
- Antibiotic KM 214
- IUPAC
- (9E,11E,13E)-14-[(1Z,6Z)-4,16-dihydroxy-3,7,15,19-tetramethyl-8,10-dioxo-9-oxatetracyclo[9.9.0.02,6.012,17]icosa-1,6,18-trien-20-yl]-3-hydroxy-2,5,7,9-tetramethyltetradeca-9,11,13-trienoic acid
Names & synonyms
Antibiotic KM 214KM-214
Database identifiers
- CAS
59979-63-4- PubChem CID
- 124201465
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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