Products for Research Use Only

6Beta-Hydroxy Triamcinolone Acetonide

CAT: 0572-TRC-H970050-5MGSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-H970050-5MGSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3869-32-7
Synonyms
(6β,11β,16α)-9-Fluoro-6,11,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione;
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Molecular Formula
C24 H31 F O7
Molecular Weight
450.5
InChI
InChI=1S/C24H31FO7/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(27)5-6-21(15,3)23(14,25)17(29)10-22(13,4)24(19,32-20)18(30)11-26/h5-7,13-14,16-17,19,26,28-29H,8-11H2,1-4H3/t13-,14-,16+,17-,19+,21-,22-,23-,24+/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Hydroxytriamcinolone acetonide, (6beta)-
CAS Number3869-32-7
PubChem CID29982180
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S,19R)-12-fluoro-11,19-dihydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H31FO7
Molecular Weight450.5
XLogP1.5
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity958
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@H](C5=CC(=O)C=C[C@@]53C)O)F)O
InChI
InChI=1S/C24H31FO7/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(27)5-6-21(15,3)23(14,25)17(29)10-22(13,4)24(19,32-20)18(30)11-26/h5-7,13-14,16-17,19,26,28-29H,8-11H2,1-4H3/t13-,14-,16+,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
WMJSKWRCHLTCCW-PXGYRYRDSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxytriamcinolone acetonide, (6beta)-
CAS: 3869-32-7
CID: 29982180
Formula: C24H31FO7
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass450.20538149
Monoisotopic Mass450.20538149
Topological Polar Surface Area113 Ų
Heavy Atom Count32
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes