(17Beta)-13-Ethyl-3-methoxygona-2,5(10)-dien-17-ol
Completing data — refresh the page later to see the latest
Basic information
- CAS
1038-28-4- Standard SMILES
CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(OC)=CC4- InChIKey
DKGAZBPXLWEBPI-SLHNCBLASA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- (17Beta)-13-Ethyl-3-methoxygona-2,5(10)-dien-17-ol
- IUPAC
- (8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
- English name
- (±)-13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol
- Molecular formula
- C20H30O2
- Molecular weight
- 302.45
Names & synonyms
DTXSID901020313(17Beta)-13-Ethyl-3-methoxygona-2,5(10)-dien-17-olRefChem:392615DTXCID2015271201038-28-4Levonorgestrel EP Impurity Q(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol(+/-)-13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol13-Ethyl-3-methoxy-gona-2,5(10)-dien-17?-olEINECS 213-860-913-ethyl-3-methoxygona-2,5(10)-dien-17?-olSCHEMBL3444598
Show more names
Levonorgestrel EP IMP QLevonorgestrel IMpurity QLevonorgestrel Impurity 3613-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol(?-13-ethyl-3-methoxygona-2,5(10)-dien-17?-oldl-3-methoxy-13β-ethylgona-2,5(10)-dien-17β-ol(±)-13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol
DKGAZBPXLWEBPI-SLHNCBLASA-NDTXSID20103566813-ethyl-3-methoxygona-2,5(10)-diene-17beta-ol(1)-13-Ethyl-3-methoxygona-2,5(10)-dien-17beta-ol13beta-Ethyl-3-methoxy-gona-2,5(10)-dien-17beta-ol(+/-)-3-Methoxy-18-methylestra-2,5(10)-dien-17beta-ol(1S,3aS,3bR,9bS,11aS)-11a-Ethyl-7-methoxy-2,3,3a,3b,4,5,6,9,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
Database identifiers
- CAS
1038-28-4、14507-49-4- PubChem CID
- 101950
- DTXSID
DTXSID201035668- UNII
- 8ERD33FFH7
- EC Number
- 213-860-9
- Nikkaji
- J241.273J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 117 · 117-121 °C
- Boiling point
- 449.5 · 449.5±45.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 15.04 · 15.04±0.60(Predicted)
- Water Solubility
- 6 mg/L · 6mg/L at 25℃
- LogP
- 6.21 at · 6.21 at 25℃
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: (±)-13-ethyl-3-methoxygona-2,5(10)-dien-17β-ol (EC: 213-860-9)
Hazard Classes and CategoriesAquatic Chronic 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Uses13-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol is a steroid used in the total synthesis of (-)-norgestrel a progestin medication. Levonorgestrel impurity.
Related reactions
11 records
Compound notes
Loading…