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17a-Dihydro Equilenin

CAT: 0572-TRC-D448955-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D448955-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6639-99-2
Synonyms
Estra-1,3,5,7,9-pentaene-3,17-diol, (17α)-; Estra-1,3,5(10),6,8-pentaene-3,17α-diol (6CI,7CI,8CI); (17α)-Estra-1,3,5,7,9-pentaene-3,17-diol; 17α-Dihydroequilenin; Estra-1,3,5,7,9-pentaene-3,17α-diol; NSC 12171; α-Dihydroequilenin
Hazard Statement
Suspected of causing cancer
Purity
>95% (HPLC)
Smiles
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Molecular Formula
C18 H20 O2
Molecular Weight
268.35
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
Additionnal Information
IUPAC name: (13S,14S,17R)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

alpha-Dihydroequilenin

17alpha-Dihydroequilenin is a 3-hydroxy steroid.

CAS Number6639-99-2
PubChem CID223998
IUPAC Name(13S,14S,17R)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC18H20O2
Molecular Weight268.3
XLogP3.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity382
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-KSZLIROESA-N
Chemical Structure
2D Structure
2D structure of alpha-Dihydroequilenin
CAS: 6639-99-2
CID: 223998
Formula: C18H20O2
MW: 268.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.3
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass268.146329876
Monoisotopic Mass268.146329876
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-E201222-0117α-Dihydro Equilenin
sc-47133317β-Dihydro equilenin
AR-E01647-0117-beta-Dihydro Equilenin
sc-49890917α-Dihydro equilenin 3-sulfate
RM-E201218-0117β-Dihydro Equilenin 3-Sulfate
AR-E01657-0117?-Dihydro Equilenin 3-Sulfate Sodium Salt
AR-E10142-0117-alpha-Dihydro Equilenin 17-Sulfate Sodium Salt
T19776-01Equilenin
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