CAS 15114-79-1 | Pregn-4-en-3-one, 20-hydroxy- | CAS Number 15114-79-1

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15114-79-1 | Pregn-4-en-3-one, 20-hydroxy-

CAS No: 15114-79-1 Catalog No: AG001N4U MDL No:

Product Description

Catalog Number:

AG001N4U

Chemical Name:

Pregn-4-en-3-one, 20-hydroxy-

CAS Number:

15114-79-1

Molecular Formula:

C21H32O2

Molecular Weight:

316.4776

IUPAC Name:

(8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

InChI:

InChI=1S/C21H32O2/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/h12-13,16-19,22H,4-11H2,1-3H3/t13?,16-,17+,18-,19-,20-,21+/m0/s1

InChI Key:

RWBRUCCWZPSBFC-HWSYHKBZSA-N

SMILES:

O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(O)C)C)C

Properties

Complexity:

550

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.24g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.485g/mol

Monoisotopic Mass:

316.24g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Relative in vitro seasonal effects of vasotocin and isotocin on ovarian steroid hormone levels in the catfish Heteropneustes fossilis.	General and comparative endocrinology 20090701
Effects of hCG and ovarian steroid hormones on vasotocin levels in the female catfish Heteropneustes fossilis.	General and comparative endocrinology 20090601
Studies on neurosteroids XXII. Liquid chromatography-tandem mass spectrometric method for profiling rat brain 3-oxo-4-ene-neuroactive steroids.	Biomedical chromatography : BMC 20080101
Cloning and expression of chicken 20-hydroxysteroid dehydrogenase.	Journal of molecular endocrinology 20061201
Human chorionic gonadotropin-dependent induction of an equine aldo-keto reductase (AKR1C23) with 20alpha-hydroxysteroid dehydrogenase activity during follicular luteinization in vivo.	Journal of molecular endocrinology 20060601
Characteristics and inhibition by flavonoids of 20alpha-hydroxysteroid dehydrogenase activity in mouse tissues.	Life sciences 20060515
Membrane 5alpha-pregnane-3,20-dione (5alphaP) receptors in MCF-7 and MCF-10A breast cancer cells are up-regulated by estradiol and 5alphaP and down-regulated by the progesterone metabolites, 3alpha-dihydroprogesterone and 20alpha-dihydroprogesterone, with associated changes in cell proliferation and detachment.	The Journal of steroid biochemistry and molecular biology 20051101
[Determination of progesterone and its main metabolite in rat plasma and uterus using HPLC].	Yao xue xue bao = Acta pharmaceutica Sinica 20040801
Fundulus heteroclitus gonadotropins.5: Small scale chromatographic fractionation of pituitary extracts into components with different steroidogenic activities using homologous bioassays.	Reproductive biology and endocrinology : RB&E 20040101