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6-Dehydro-19-nortestosterone

CAT: 0572-TRC-D230425-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230425-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14531-84-1
Synonyms
(17beta)-17-Hydroxyestra-4,6-dien-3-one; Estra-4,6-dien-3-one, 17beta-hydroxy- (7CI,8CI); (17beta)-17-Hydroxyestra-4,6-dien-3-one; 17beta-Hydroxyestr-4,6-dien-3-one; 17beta-Hydroxyestr-4,6-diene-3-one; 17beta-Hydroxyestra-4,6-dien-3-one; 6-Dehydro-19-nortestosterone; 6-Dehydronandrolone
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@@H]2O
Molecular Formula
C18 H24 O2
Molecular Weight
272.38
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,10,13-17,20H,3,5-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
Additionnal Information
IUPAC name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Dehydro-19-nortestosterone
CAS Number14531-84-1
PubChem CID14752703
IUPAC Name(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC18H24O2
Molecular Weight272.4
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity504
SMILES
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@@H]2O
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,10,13-17,20H,3,5-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
InChIKey
HFLHHQWDPZNOPI-IZPLOLCNSA-N
Chemical Structure
2D Structure
2D structure of 6-Dehydro-19-nortestosterone
CAS: 14531-84-1
CID: 14752703
Formula: C18H24O2
MW: 272.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.177630004
Monoisotopic Mass272.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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