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3-o-Methyl-3-methoxymaxterone

CAT: 0926-SDA28270-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SDA28270-01Size:50 mg
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CAS Number
92282-70-7
Smiles
CC12CCC (CC1CCC3C2CCC4 (C3CCC4O) C) (OC) OC
Molecular Formula
C21H36O3
Molecular Weight
336.5 g/mol
Controlled
No

Chemical Information

3-O-Methyl-3-methoxymaxterone
CAS Number92282-70-7
PubChem CID3950309
IUPAC Name3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
Molecular FormulaC21H36O3
Molecular Weight336.5
XLogP4.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity487
SMILES
CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)(OC)OC
InChI
InChI=1S/C21H36O3/c1-19-11-12-21(23-3,24-4)13-14(19)5-6-15-16-7-8-18(22)20(16,2)10-9-17(15)19/h14-18,22H,5-13H2,1-4H3
InChIKey
LLKXAWZFTUNUTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-O-Methyl-3-methoxymaxterone
CAS: 92282-70-7
CID: 3950309
Formula: C21H36O3
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass336.26644501
Monoisotopic Mass336.26644501
Topological Polar Surface Area38.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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