Basic information
- CAS
220751-73-5- Standard SMILES
CC1CCC2N(C1)CC1C3(O)CC45OC6(O)C(O)CCC4(C)C6CCC5C3(O)CC(O)C13C(C)(O)C23O- InChIKey
XRDIRAZKXFDOQL-UHFFFAOYSA-N- Molecular formula
- C28H43NO8
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.29886733
Names & identifiers
- Preferred name
- 10,13b-Epoxy-1H,13bH-benzo(7,8)fluoreno(2,1-b)cyclopropa(a)quinolizine-4b,5,6,7a,10,11,14a(5H,14H)-heptol, hexadecahydro-2,5,13a-trimethyl-
- IUPAC
- 6,11,20-trimethyl-25-oxa-4-azaoctacyclo[13.12.0.02,12.04,9.010,12.016,26.019,24.020,26]heptacosane-1,10,11,13,15,23,24-heptol
Names & synonyms
CHEMBL22221910,13b-Epoxy-1H,13bH-benzo(7,8)fluoreno(2,1-b)cyclopropa(a)quinolizine-4b,5,6,7a,10,11,14a(5H,14H)-heptol, hexadecahydro-2,5,13a-trimethyl-
Database identifiers
- CAS
220751-73-5- PubChem CID
- 457945
- ChEMBL
CHEMBL222219
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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