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6β-Hydroxylevonorgestrel - 95%, high purity , CAS No.55555-97-0

COA

Grade & Purity:

≥95%

Cas Number: 55555-97-0
Molecular Weight: 328.45
PubChem CID: 129318271
PubChem SID: 504773052

In stock

Item Number

H336213

Grouped product items
SKU	Size	Availability	Price
H336213-1mg	1mg	5	$69.90
H336213-5mg	5mg	2	$266.90
H336213-10mg	10mg	2	$478.90

a hydroxylated impurity of Norgestrel

Basic Description

Synonyms	6beta-Hydroxylevonorgestrel \| 18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-6,17-DIHYDROXY-, (6.BETA.,17.ALPHA.)- \| AKOS032958180 \| UNII-Y643AOR6HN \| (6beta,17alpha)-13-Ethyl-6,17-dihydroxy-18,19-dinorpregn-4-en-20-yn-3-one \| Levonorgestrel Impurity H (6-be
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	6β-Hydroxy Norgestrel is a hydroxylated impurity of Norgestrel .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Estrane steroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Estrane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Estrogens and derivatives
Alternative Parents	6-hydroxysteroids 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Ynones Tertiary alcohols Enones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Haloacetylenes and derivatives Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Estrogen-skeleton - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - 6-hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Ynone - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Haloacetylene or derivatives - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504773052
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773052
IUPAC Name	(6R,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
INCHI	InChI=1S/C21H28O3/c1-3-20-9-7-15-14-6-5-13(22)11-17(14)19(23)12-16(15)18(20)8-10-21(20,24)4-2/h2,11,14-16,18-19,23-24H,3,5-10,12H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m1/s1
InChIKey	LUDPEOWAWHAHEP-JUYLZWBTSA-N
Smiles	CCC12CCC3C4CCC(=O)C=C4C(CC3C1CCC2(C#C)O)O
Isomeric SMILES	CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O
PubChem CID	129318271
Molecular Weight	328.45

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
C2303528	Certificate of Analysis	Sep 30, 2022	H336213
C2303541	Certificate of Analysis	Sep 30, 2022	H336213
C2303526	Certificate of Analysis	Sep 30, 2022	H336213

Chemical and Physical Properties

Solubility	Chloroform (Soluble, Sonicated), DMSO (Slightly, Sonicated), Methanol (Slightly)
Melt Point(°C)	196-197° C
Molecular Weight	328.400 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	328.204 Da
Monoisotopic Mass	328.204 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	641.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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