Basic information
- CAS
105802-53-7- Standard SMILES
C[C@H]1CC2=C3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCC2=CC1=O- InChIKey
KAGBQXKUBZNZQX-UNSFVYSISA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Methylestra-4,9-dien-3-one-17-ol
- IUPAC
- (2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 2-methylestra-4,9-dien-3-one-17-ol
- Molecular weight
- 0
Names & synonyms
MEDOO2-Methylestra-4,9-dien-3-one-17-ol105802-53-7RefChem:88316DTXSID6090974717-Hydroxy-2-methylestra-4,9-dien-3-one17beta-Hydroxy-2beta-methylestra-4,9-dien-3-one
Database identifiers
- CAS
105802-53-7- PubChem CID
- 129115
- DTXSID
DTXSID60909747
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 556
Chemistry & industry
Suppliers1 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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