Basic information
- CAS
21269-13-6- Standard SMILES
CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
VVMRUTPNARVFIR-UHFFFAOYSA-N- Molecular formula
- C25H33NO5
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.23587315
Names & identifiers
- Preferred name
- 2-Oxo-2-(4a,6a,8-trimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethyl acetate
- IUPAC
- [2-oxo-2-(6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,17-dien-8-yl)ethyl] acetate
Names & synonyms
2-oxo-2-(4a,6a,8-trimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethyl acetateDTXSID80943729NS00050084
Database identifiers
- CAS
21269-13-6- PubChem CID
- 89474
- DTXSID
DTXSID80943729
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 921
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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