Basic information
- CAS
1922-48-1- Standard SMILES
CC(=O)C12OC1(C)CC1C3CC=C4CC(O)CCC4(C)C3CCC12C- InChIKey
LMVLICSGVDWDSM-UHFFFAOYSA-N- Molecular formula
- C22H32O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23514488
Names & identifiers
- Preferred name
- 3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one
- IUPAC
- 1-(14-hydroxy-4,7,11-trimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl)ethanone
- English name
- 16beta-Methyl-16alpha,17alpha-epoxypregnenolone
- Molecular formula
- C22H32O3
- Molecular weight
- 344.49
Names & synonyms
NSC166501SCHEMBL6332059DTXSID20940878NSC-166501PD056717DB-0447883-hydroxy-16-methyl-16,17-epoxypregn-5-en-20-onePregn-5-en-20-one,17-epoxy-3-hydroxy-16-methyl-, (3.beta.,16.beta.)-Ambiguanol16,17-Epoxy-16-methylpregnenolone16|-Methyl-16|,17|-epoxypregnenolone16b-methyl-16a,17a-epoxypregnenolone
Show more names
16,17-Epoxy-6-methylpregn-5-en-3-ol-20-one5-PREGNEN-16, 17-EPOXY-16β-METHYL-3β-OL-20-ONE16BETA-METHYL-16ALPHA,17ALPHA-EPOXYPREGNENOLONE5-Pregnen-16α,17α-epoxy-16β-methyl-3β-ol-20-one16,17-Epoxy-3-hydroxy-16-methyl-pregn-5-en-20-one3β-Hydroxy-16β-methyl-16α,17α-oxido-Δ5-pregnenon-20
Database identifiers
- CAS
1922-48-1- PubChem CID
- 296384
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Melting point
- 189 · 189-191 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 462.3 · 462.3±45.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 14.99 · 14.99±0.70(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesUsed as Intermediate of dexamethasone acetate.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
长沙启晟合研医药科技有限公司18684929597 · [email protected]
TargetMol中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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