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Progesterone Impurity 40

CAT: 1299-RM-P156540-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P156540-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35525-27-0
Synonyms
(8S,9S,10R,13S,14S,17R) -17- ((S) -1-hydroxypropan-2-yl) -10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H32O2
Molecular Weight
328.5
Target Alternative Name
Progesterone
Product Name Synonym
(8S,9S,10R,13S,14S,17R) -17- ((S) -1-hydroxypropan-2-yl) -10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

21-Hydroxy-20-methylpregna-1,4-dien-3-one
CAS Number35525-27-0
PubChem CID13022924
IUPAC Name(8S,9S,10R,13S,14S,17R)-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP5.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity603
SMILES
CC(CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
InChI
InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h8,10,12,14,17-20,23H,4-7,9,11,13H2,1-3H3/t14?,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey
FRCNDHZJYALSFS-ZRFCQXGJSA-N
Chemical Structure
2D Structure
2D structure of 21-Hydroxy-20-methylpregna-1,4-dien-3-one
CAS: 35525-27-0
CID: 13022924
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area37.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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