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Tigogenin

CAT: 1410-M20695-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M20695-06Size:100 mg
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Description
Tigogenin is one of steroidal sapogenins which is widely used for synthesizing steroid drugs. It might have protective effect on bone and be helpful in preventing the development of osteoporosis.
CAS Number
77-60-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
416.6
Molecular Formula
C27H44O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Tigogenin

Tigogenin is a widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs. It has a role as a gout suppressant and a plant metabolite.

CAS Number77-60-1
PubChem CID99516
IUPAC Name(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Molecular FormulaC27H44O3
Molecular Weight416.6
XLogP6.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity694
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey
GMBQZIIUCVWOCD-MFRNJXNGSA-N
Chemical Structure
2D Structure
2D structure of Tigogenin
CAS: 77-60-1
CID: 99516
Formula: C27H44O3
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass416.32904526
Monoisotopic Mass416.32904526
Topological Polar Surface Area38.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FT42775-01Tigogenin
HY-N1403RTigogenin (Standard)
HY-N13461Tigogenin acetate
TN8709-01Tigogenin lactone

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