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20-beta-Dihydrodydrogesterone

CAT: 1596-AR-D05976-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D05976-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4243-73-6
Synonyms
(8S,9R,10S,13S,14S,17S) -17- ((R) -1-hydroxyethyl) -10,13-dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C21H30O2
Molecular Weight
314.47
API Name
Dydrogesterone

Chemical Information

20beta-Dihydrodydrogesterone
CAS Number4243-73-6
PubChem CID101787691
IUPAC Name(8S,9R,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP4.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity589
SMILES
C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C)O
InChI
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12-13,16-19,22H,6-11H2,1-3H3/t13-,16+,17-,18+,19-,20-,21-/m1/s1
InChIKey
IQPNZLYVKOVQGH-RKJOAILSSA-N
Chemical Structure
2D Structure
2D structure of 20beta-Dihydrodydrogesterone
CAS: 4243-73-6
CID: 101787691
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass314.224580195
Monoisotopic Mass314.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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