Basic information
- CAS
59324-40-2- Standard SMILES
CC12CCC(OC3CCCCO3)CC1=CCC1C2CCC2(C)C1CCC2(O)CCN- InChIKey
RQLXCBXLAWPNRI-UHFFFAOYSA-N- Molecular formula
- C26H43NO3
- Average molar mass
- 417.6 g/mol
- Monoisotopic mass
- 417.32429423
Names & identifiers
- Preferred name
- 17-(2-Aminoethyl)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
- IUPAC
- 17-(2-aminoethyl)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Names & synonyms
59324-40-2NSC23658517-(2-aminoethyl)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-olDTXSID60311043NSC-23658521-Amino-3-[(oxan-2-yl)oxy]pregn-5-en-17-ol
Database identifiers
- CAS
59324-40-2- PubChem CID
- 314971
- DTXSID
DTXSID60311043
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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