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Gitoxigenin

CAT: 0024-sc-215071Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215071Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
545-26-6

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
G01650Gitoxigenin
HY-N1274817βH-Gitoxigenin

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