Δ-5 (6) -Norethindrone

CAT: 0024-sc-478781Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478781Size:1 mg

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CAS Number

22933-71-7

Chemical Information

delta-5(6)-Norethindrone

CAS Number	22933-71-7
PubChem CID	71751195
IUPAC Name	(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Formula	C20H26O2
Molecular Weight	298.4
XLogP	2.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	594

SMILES

C[C@]12CC[C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O

InChI

InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,4,15-18,22H,5-12H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

QGQUHXSBTSDAML-XGXHKTLJSA-N

Chemical Structure

2D Structure

CAS: 22933-71-7

CID: 71751195

Formula: C20H26O2

MW: 298.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	298.193280068
Monoisotopic Mass	298.193280068
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	594
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-478263	6-Oxo Norethindrone
sc-489929	6β-Hydroxy norethindrone
sc-499659	6,7-Dehydro Norethindrone
sc-478772	6-Oxo Norethindrone Acetate
sc-490000	6β-Hydroxy norethindrone acetate
sc-477926	6β,17-Norethindrone Diacetate
sc-471490	6α-Hydroxy norethindrone acetate
sc-478773	Δ-5 (10) -Norethindrone acetate
sc-204822	Norethindrone
sc-204822B	Norethindrone