Basic information
- Standard SMILES
C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1OC([C@H](O)[C@@H]2C[C@H]3O[C@@]4(CC[C@]5(C=C(C)C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)=C(C)C[C@@H]1C- InChIKey
ZQINWGZDWAQBJU-QLZINJHCSA-N- Molecular formula
- C48H71NO11
- Average molar mass
- 838.1 g/mol
- Monoisotopic mass
- 837.50271208
Names & identifiers
- Preferred name
- 21-22-Dehydro-8-methylazaspiracid
Names & synonyms
DTXSID90102168021-22-Dehydro-8-methylazaspiracid
Database identifiers
- PubChem CID
- 165362829
- DTXSID
DTXSID901021680
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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