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Hecogenin

CAT: 0013-GTR19168308-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168308-01Size:25 mg
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Description
Hecogenin is a steroid saponin from Agave sisalana that acts as a specific human UDP-glucuronosyltransferase inhibitor. It demonstrates diverse pharmacological properties including anti-inflammatory and antifungal activities, making it a valuable tool for drug metabolism and pharmacological research in both in vitro and in vivo studies.
CAS Number
467-55-0
Product Name Alternative
Inhibit, Fungal, Hocogenin, Inhibitor, Hecogenin, UDP-glucuronosyltransferases
Field of Research
Infectious Disease & Virology
Purity
99.38% (May vary between batches)
Solubility
Ethanol:6.25 mg/mL (14.51 mM) ; H2O:Insoluble; DMSO:Insoluble
Smiles
[H][C@]12C[C@@]3 ([H]) [C@]4 ([H]) CC[C@@]5 ([H]) C[C@@H] (O) CC[C@]5 (C) [C@@]4 ([H]) CC (=O) [C@]3 (C) [C@@]1 ([H]) [C@H] (C) [C@@]1 (CC[C@@H] (C) CO1) O2
Molecular Formula
C27H42O4
Molecular Weight
430.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Hecogenin

Hecogenin is a triterpenoid.

CAS Number467-55-0
PubChem CID91453
IUPAC Name(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Molecular FormulaC27H42O4
Molecular Weight430.6
XLogP4.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity766
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
InChIKey
QOLRLLFJMZLYQJ-LOBDNJQFSA-N
Chemical Structure
2D Structure
2D structure of (+)-Hecogenin
CAS: 467-55-0
CID: 91453
Formula: C27H42O4
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass430.30830982
Monoisotopic Mass430.30830982
Topological Polar Surface Area55.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity766
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
BA1663-50Hecogenin
AAA91535Hecogenin acetate
TRC-H129945-250MGHecogenin (>80%)
HY-N1422RHecogenin (Standard)

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