Products for Research Use Only

19-Noretiocholanolone

CAT: 0572-TRC-N675200-50MGSize: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-N675200-50MGSize:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
33036-33-8
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C[C@]12CC[C@@H]3[C@H]4CC[C@@H](O)C[C@H]4CC[C@H]3[C@@H]1CCC2=O
Molecular Formula
C18 H28 O2
Molecular Weight
276.41
InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1
Additionnal Information
IUPAC name: (3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

19-Noretiocholanolone
CAS Number33036-33-8
PubChem CID14009228
IUPAC Name(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
Molecular FormulaC18H28O2
Molecular Weight276.4
XLogP3.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity418
SMILES
C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CCC2=O)O
InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1
InChIKey
UOUIARGWRPHDBX-DHMVHTBWSA-N
Chemical Structure
2D Structure
2D structure of 19-Noretiocholanolone
CAS: 33036-33-8
CID: 14009228
Formula: C18H28O2
MW: 276.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass276.208930132
Monoisotopic Mass276.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products