Basic information
- CAS
1635-20-7- Standard SMILES
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C- InChIKey
OACVNSOUPWYEBL-JZOCASSUSA-N- Molecular formula
- C22H36O4
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.26135963
Names & identifiers
- Preferred name
- 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one
- IUPAC
- 1-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 3beta,11alpha,17-trihydroxy-16alpha-methyl-5alpha-pregnan-20-one
- Molecular formula
- C22H36O4
- Molecular weight
- 364.52
Names & synonyms
1635-20-73beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-oneEINECS 216-658-91-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanoneDTXSID009368305alpha-Pregnan-20-one, 3beta,11alpha,17-trihydroxy-16alpha-methyl-NS000490813,11,17-Trihydroxy-16-methylpregnan-20-onePregnan-20-one, 3,11,17-trihydroxy-16-methyl-, (3beta,5alpha,11alpha,16alpha)-3β,11α,17-trihydroxy-16α-methyl-5α-pregnan-20-onePregnan-20-one, 3,11,17-trihydroxy-16-methyl-, (3β,5α,11α,16α)- (9CI)
Database identifiers
- CAS
1635-20-7- PubChem CID
- 102149
- DTXSID
DTXSID00936830- EC Number
- 216-658-9
- Nikkaji
- J195.267F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 605
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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