17-beta-Dihydro Equilenin

CAT: 1596-AR-E01647-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01647-01Size:10 Units

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CAS Number

1423-97-8

Synonyms

(17?) -Estra-1,3,5,7,9-pentaene-3,17-diol; Estra-1,3,5,7,9-pentaene-3,17?-diol; E 380; ?-Dihydroequilenin; 17?-Equilenol;17?-Dihydro Equilenin

Molecular Formula

C18H20O2

Molecular Weight

268.36

API Name

Equilenin

Chemical Information

beta-Dihydroequilenin

RN given refers to (17 beta)-isomer

CAS Number	1423-97-8
PubChem CID	3032407
IUPAC Name	(13S,14S,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Formula	C18H20O2
Molecular Weight	268.3
XLogP	3.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	382

SMILES

C[C@]12CCC3=C([C@@H]1CC[C@@H]2O)C=CC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17-,18-/m0/s1

InChIKey

RYWZPRVUQHMJFF-BZSNNMDCSA-N

Chemical Structure

2D Structure

CAS: 1423-97-8

CID: 3032407

Formula: C18H20O2

MW: 268.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.3
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	268.146329876
Monoisotopic Mass	268.146329876
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
AR-E10142-01	17-alpha-Dihydro Equilenin 17-Sulfate Sodium Salt
AR-E10144-01	17-beta-3-Methoxydihydro Equilenin
AR-E01657-01	17?-Dihydro Equilenin 3-Sulfate Sodium Salt
AR-E01656-01	17?-Dihydro Equilenin 3-Sulfate Sodium Salt
AR-E01659-01	17-beta-Dihydro Equilin
AR-E01646-01	Equilenin
AR-E01658-01	17?-Dihydro Equilin 3-Sulfate Sodium Salt
AR-E10143-01	Equilenin 3-O-beta-D-Glucuronide Sodium Salt
AR-E01645-01	Equilenin Sulfate Sodium Salt
AR-A04827-01	(16α,17α) -Epoxy 16,17-Dihydro-Abiraterone Acetate

Catalog	Name
RM-E201222-01	17α-Dihydro Equilenin
sc-471333	17β-Dihydro equilenin
sc-498909	17α-Dihydro equilenin 3-sulfate
RM-E201218-01	17β-Dihydro Equilenin 3-Sulfate
TRC-D448960-25MG	17b-Dihydro Equilenin
TRC-D448960-2.5MG	17Beta-Dihydro Equilenin
TRC-D448955-0.5MG	17a-Dihydro Equilenin
TRC-D448955-5MG	17Alpha-Dihydro Equilenin
TRC-D447590-5MG	17Beta-Dihydro-17Alpha-ethynyl-equilenin
TRC-D447590-10MG	17b-Dihydro-17a-ethynyl-equilenin