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Progesterone Impurity 58

CAT: 1299-RM-P156558-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P156558-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1162-53-4
Synonyms
1- ((3S,8R,9S,10R,13S,14S) -3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethan-1-one
Molecular Formula
C21H30O2
Molecular Weight
314.47
Target Alternative Name
Progesterone
Product Name Synonym
1- ((3S,8R,9S,10R,13S,14S) -3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethan-1-one

Chemical Information

16-Dehydropregnenolone

16,17-didehydropregnenolone is a 3beta-hydroxy-5-steroid that is pregnenolone with a double bond between positions 16 and 17. It is a 3beta-hydroxy-Delta(5)-steroid, a 20-oxo steroid and an enone. It is functionally related to a pregnenolone.

CAS Number1162-53-4
PubChem CID92871
IUPAC Name1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP3.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity601
SMILES
CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
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/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1
InChIKey
YLFRRPUBVUAHSR-RRPFGEQOSA-N
Chemical Structure
2D Structure
2D structure of 16-Dehydropregnenolone
CAS: 1162-53-4
CID: 92871
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP33.9
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
Complexity601
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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