Basic information
- CAS
1808-63-5- Standard SMILES
CC(=O)C1=C(C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WYOKDIKHIXWWOC-LXIBVNSESA-N- Molecular formula
- C22H32O2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.24023026
Names & identifiers
- Preferred name
- 3beta-Hydroxy-16-methylpregna-5,16-dien-20-one
- IUPAC
- 1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 3beta-hydroxy-16-methylpregna-5,16-dien-20-one
- Molecular formula
- C22H32O2
- Molecular weight
- 328.48828
Names & synonyms
1808-63-53beta-Hydroxy-16-methylpregna-5,16-dien-20-one1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanonePregna-5,16-dien-20-one, 3-hydroxy-16-methyl-, (3beta)-16-METHYL-16-DEHYDROPREGNENOLONEEINECS 217-311-4SCHEMBL8643228Pregna-5,16-dien-20-one, 3.beta.-hydroxy-16-methyl-DTXSID40939385WYOKDIKHIXWWOC-LXIBVNSESA-NPregna-5,16-dien-20-one, 3-hydroxy-16-methyl-, (3.beta.)-FM66810
Show more names
3β-Hydroxy-16-methylpregna-5,16-dien-20-one
NS000479235,16-Pregnadien-16-methyl-3beta-ol-20-one3-Hydroxy-16-methylpregna-5,16-dien-20-one #
Database identifiers
- CAS
1808-63-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 642
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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