Stigmast-5-en-3-yl phenylcarbamate
Basic information
- CAS
67978-97-6- Standard SMILES
CCC(CCC(C)C1CCC2C3CC=C4CC(OC(=O)Nc5ccccc5)CCC4(C)C3CCC12C)C(C)C- InChIKey
CVLUIVVMOADGAB-UHFFFAOYSA-N- Molecular formula
- C36H55NO2
- Average molar mass
- 533.8 g/mol
- Monoisotopic mass
- 533.42328
Names & identifiers
- Preferred name
- Stigmast-5-en-3-yl phenylcarbamate
- IUPAC
- [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate
Names & synonyms
67978-97-6Stigmast-5-en-3-yl phenylcarbamateNSC233985DTXSID30310886NSC-233985
Database identifiers
- CAS
67978-97-6- PubChem CID
- 314671
- DTXSID
DTXSID30310886
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 873
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…