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17Alpha-Dihydro Equilin

CAT: 0572-TRC-D449470-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D449470-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
651-55-8
Synonyms
Estra-1,3,5(10),7-tetraene-3,17alpha-diol; 17alpha-Dihydroequilin; alpha-Dihydroequilin; alpha-Equilol
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Molecular Formula
C18 H22 O2
Molecular Weight
270.37
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1
Additionnal Information
IUPAC name: (9S,13S,14S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

alpha-Dihydroequilin

Estra-1,3,5(10),7-tetraene-3,17alpha-diol is a 17-hydroxy steroid.

CAS Number651-55-8
PubChem CID9547222
IUPAC Name(9S,13S,14S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC18H22O2
Molecular Weight270.4
XLogP3.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity429
SMILES
C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CC[C@H]2O
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1
InChIKey
NLLMJANWPUQQTA-SPUZQDLCSA-N
Chemical Structure
2D Structure
2D structure of alpha-Dihydroequilin
CAS: 651-55-8
CID: 9547222
Formula: C18H22O2
MW: 270.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass270.161979940
Monoisotopic Mass270.161979940
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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TRC-D449132-1MG17Beta-Dihydro Equilin-16,16,17-d3

Alternative Products

CatalogName
MBS6050652-0117alpha-Dihydro Equilin
00978317β-Dihydro Equilin
272268-0117a-Dihydro equilin
009852-0117α-Dihydro Equilin
MBS6076758-0117beta-Dihydro Equilin
AR-E01659-0117-beta-Dihydro Equilin
MBS6056641-0117beta-Dihydro Equilin 3-Sulfate
sc-49884417α-Dihydro Equilin 3-Sulfate
00974417β-Dihydro Equilin 3-Sulfate
sc-5034593-O-Benzyl-17β-Dihydro Equilin

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