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Basic information
- Standard SMILES
CCC1OOC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C3(OC1(C)C=C3C)O2- InChIKey
BCJYAVXDMWBLRY-UHFFFAOYSA-N- Molecular formula
- C29H49NO9
- Average molar mass
- 555.7 g/mol
- Monoisotopic mass
- 555.34073214
Names & identifiers
- Preferred name
- 12-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-10-hydroxy-2,4,9,11,13,15-hexamethyl-6,7,16,17-tetraoxatricyclo[11.2.1.11,4]heptadec-2-en-8-one
- IUPAC
- 12-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-10-hydroxy-2,4,9,11,13,15-hexamethyl-6,7,16,17-tetraoxatricyclo[11.2.1.11,4]heptadec-2-en-8-one
Names & synonyms
NSC525320NSC-525320
Database identifiers
- PubChem CID
- 352196
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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