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17b-Hydroxyprogesterone

CAT: 0926-FH41795-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FH41795-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
604-09-1
MDL Number
MFCD00003659
Smiles
CC (=O) [C@]1 (O) CC[C@H]2[C@@H]3CCC4=CC (=O) CC[C@]4 (C) [C@H]3CC[C@]12C
Molecular Formula
C21H30O3
Molecular Weight
330.46 g/mol
Controlled
No

Chemical Information

17beta-Hydroxyprogesterone
CAS Number604-09-1
PubChem CID101793
IUPAC Name(8R,9S,10R,13S,14S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP3.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity635
SMILES
CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C21H30O3/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/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21-/m1/s1
InChIKey
DBPWSSGDRRHUNT-SJFWLOONSA-N
Chemical Structure
2D Structure
2D structure of 17beta-Hydroxyprogesterone
CAS: 604-09-1
CID: 101793
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP33.2
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
Complexity635
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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