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Gestrinone

CAT: 0607-BA9227-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9227-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16320-04-0
Form
A solid
Molecular Formula
C21H24O2
Molecular Weight
308.41
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Gestrinone

Gestrinone is an oxo steroid.

CAS Number16320-04-0
PubChem CID27812
IUPAC Name(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H24O2
Molecular Weight308.4
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity713
SMILES
CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O
InChI
InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
InChIKey
BJJXHLWLUDYTGC-ANULTFPQSA-N
Chemical Structure
2D Structure
2D structure of Gestrinone
CAS: 16320-04-0
CID: 27812
Formula: C21H24O2
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass308.177630004
Monoisotopic Mass308.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity713
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

Alternative Products

CatalogName
MBS3842609-01Gestrinone
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G2032-80Gestrinone discontinued
abx284116Gestrinone (HRP)
A18011-10Gestrinone 10mg
A18011-200Gestrinone 200mg
A18011-50Gestrinone 50mg
80-1176Gestrinone-HRP
HY-101405RGestrinone (Standard)
A18011-100Gestrinone 100mg

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