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6-Beta-Hydroxyprogesterone

CAT: 1299-RM-P156517-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P156517-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
604-19-3
Synonyms
(6R,8S,9S,10R,13S,14S,17S) -17-acetyl-6-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one
Molecular Formula
C21H30O3
Molecular Weight
330.46
Target Alternative Name
Progesterone
Product Name Synonym
(6R,8S,9S,10R,13S,14S,17S) -17-acetyl-6-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one

Chemical Information

6beta-Hydroxyprogesterone

6beta-hydroxyprogesterone is a 3-oxo-4-steroid that is progesterone in which the hydrogen at the 6beta-position is substituted by a hydroxy group. It is a 6beta-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid.

CAS Number604-19-3
PubChem CID200149
IUPAC Name(6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP2.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity621
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C
InChI
InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19+,20+,21+/m0/s1
InChIKey
PWCLWZOSAFOXFL-CXICGXRGSA-N
Chemical Structure
2D Structure
2D structure of 6beta-Hydroxyprogesterone
CAS: 604-19-3
CID: 200149
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity621
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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