Products for Research Use Only
RegisterLogin

Gitoxigenin

CAT: 0286-G01650Size: 10 mgDry Ice: NoHazardous: Yes
Product image 1
1 / 1
CAT#:0286-G01650Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
545-26-6
Synonyms
16B-Hydroxydigitoxigenin
UN Code
UN1544
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00021174
Hazard Statement
H301 Toxic if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation; H370 Causes damage to organs.
DOT Name
Alkaloids, Solid, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGI
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P271 Use only outdoors or in a well-ventilated area; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P307+P311 IF exposed: call a POISON CENTER or doctor/physician; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

Gitoxigenin

Gitoxigenin is a 16beta-hydroxy steroid, a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.

CAS Number545-26-6
PubChem CID348482
IUPAC Name3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular FormulaC23H34O5
Molecular Weight390.5
XLogP1.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity718
SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O
InChI
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1
InChIKey
PVAMXWLZJKTXFW-VQMOFDJESA-N
Chemical Structure
2D Structure
2D structure of Gitoxigenin
CAS: 545-26-6
CID: 348482
Formula: C23H34O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass390.24062418
Monoisotopic Mass390.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity718
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

Alternative Products

CatalogName
sc-215071Gitoxigenin
HY-N1274817βH-Gitoxigenin

Popular Products