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5beta-Androstane-3beta,17alpha-diol

CAT: 0572-TRC-A637765-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637765-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19767-69-2
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O
Molecular Formula
C19 H32 O2
Molecular Weight
292.456
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
Additionnal Information
IUPAC name: (3S,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5beta-Androstane-3beta,17alpha-diol
CAS Number19767-69-2
PubChem CID9857253
IUPAC Name(3S,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC19H32O2
Molecular Weight292.5
XLogP4.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity422
SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
InChIKey
CBMYJHIOYJEBSB-YISWTCPOSA-N
Chemical Structure
2D Structure
2D structure of 5beta-Androstane-3beta,17alpha-diol
CAS: 19767-69-2
CID: 9857253
Formula: C19H32O2
MW: 292.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass292.240230259
Monoisotopic Mass292.240230259
Topological Polar Surface Area40.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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