Delta 9,11-canrenone CAS#: 95716-71-5; 凯望编码 (ChemWhat Code): 1320998

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Delta 9,11-canrenone
IUPAC Name(8S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-17,5′-oxolane]-2′,3-dione
分子结构Structure-of-delta-911-Canrenone-CAS-95716-71-5
CAS编号 95716-71-5
EINECS NumberNo data available
MDL NumberMFCD09751202
Beilstein Registry NumberNo data available
别名3-<17β-Hydroxy-3-oxo-androstatrien-(4,6,9(11))-yl-(17α)>-propionsaeure-lactonpregna-4,6,9(11)-triene-17β-ol-3-one-21-carboxylate γ lactone(17α)-17-hydroxy-3-oxo-pregna-4,6,9 (11)-triene-21-carboxylic acid γ-lactone
分子式C22H26O3
分子量338.447
InChIInChI=1S/C22H26O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,6,13,16,18H,5,7-12H2,1-2H3/t16-,18+,20+,21+,22-/m1/s1
InChI KeyMCNZISFQKMPWRJ-DOYHNPMNSA-N
Canonical SMILESC[C@]12CCC(=O)C=C1C=C[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1
Patent Information
No data available

Physical Data

AppearancePale yellowish or yellow solid
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
分子量338.447
logP3.891
HBA3
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)43.37
Rotatable Bond (RotB)0
Matching Veber Rules2
Use Pattern
Delta 9,11-canrenone CAS#: 95716-71-5 used in eplerenone intermediate A3.

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认证生产商

Caming Pharmaceutical Ltdhttp://www.caming.com/
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