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17α-Dydrogesterone

CAT: 0024-sc-497337Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-497337Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
246038-13-1

Chemical Information

9beta,10alpha,17alpha-Pregna-4,6-diene-3,20-dione
CAS Number246038-13-1
PubChem CID1547487
IUPAC Name(8S,9R,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O2
Molecular Weight312.4
XLogP3.8
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity628
SMILES
CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C
InChI
InChI=1S/C21H28O2/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/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m0/s1
InChIKey
JGMOKGBVKVMRFX-POHNSKBLSA-N
Chemical Structure
2D Structure
2D structure of 9beta,10alpha,17alpha-Pregna-4,6-diene-3,20-dione
CAS: 246038-13-1
CID: 1547487
Formula: C21H28O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass312.208930132
Monoisotopic Mass312.208930132
Topological Polar Surface Area34.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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