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11a-Hydroxy progesterone

CAT: 0926-FH24102-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FH24102-02Size:2 g
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CAS Number
80-75-1
Synonyms
(11a) -11-Hydroxypregn-4-ene-3,20-dione;11-Hydroxyprogesterone;4-Pregnene-11a-ol-3,20-dione
Smiles
CC (=O) [C@H]1CC[C@@H]2[C@@]1 (C[C@H] ([C@H]3[C@H]2CCC4=CC (=O) CC[C@]34C) O) C
Molecular Formula
C21H30O3
Molecular Weight
330.47 g/mol
Controlled
No

Chemical Information

11alpha-Hydroxyprogesterone

11alpha-hydroxyprogesterone is a 11alpha-hydroxy steroid that is pregn-4-ene-3,20-dione substituted by a hydroxy group at position 11. It is an 11alpha-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid. It is functionally related to a progesterone.

CAS Number80-75-1
PubChem CID92730
IUPAC Name(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-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
XLogP2.4
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(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
InChI
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey
BFZHCUBIASXHPK-QJSKAATBSA-N
Chemical Structure
2D Structure
2D structure of 11alpha-Hydroxyprogesterone
CAS: 80-75-1
CID: 92730
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP32.4
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