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Hydroxyprogesterone Impurity 23

CAT: 1299-RM-P157023-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157023-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66212-25-7
Synonyms
(8R,9S,10R,13S,14S,17R) -17-acetyl-17-hydroxy-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C21H26O3
Molecular Weight
326.44
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(8R,9S,10R,13S,14S,17R) -17-acetyl-17-hydroxy-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

17-Hydroxy-1,4,6-pregnatriene-3,20-dione
CAS Number66212-25-7
PubChem CID54192044
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H26O3
Molecular Weight326.4
XLogP2.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity715
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)C=C[C@]34C)C)O
InChI
InChI=1S/C21H26O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4-6,9,12,16-18,24H,7-8,10-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey
PJERKBARHKFJRD-CEGNMAFCSA-N
Chemical Structure
2D Structure
2D structure of 17-Hydroxy-1,4,6-pregnatriene-3,20-dione
CAS: 66212-25-7
CID: 54192044
Formula: C21H26O3
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass326.18819469
Monoisotopic Mass326.18819469
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity715
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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