Basic information
- CAS
210411-48-6- Standard SMILES
CC12CCC(=NOCC(=O)O)C=C1CCC1C2CCC2(C)C1CCC2(C)O- InChIKey
VUVNLXFEGKNTAK-UHFFFAOYSA-N- Molecular formula
- C22H33NO4
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.24095853
Names & identifiers
- Preferred name
- 2-[(17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
- IUPAC
- 2-[(17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
Names & synonyms
210411-48-6AC1L1BIEDTXSID402743092-[(17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acidNS00040578{[(17-hydroxy-17-methylandrost-4-en-3-ylidene)amino]oxy}acetic acid
Database identifiers
- CAS
210411-48-6- PubChem CID
- 1452
- DTXSID
DTXSID40274309
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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