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Gynostemma Extract

CAT: 0013-GTR19169843-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169843-01Size:50 mg
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Description
Gynostemma Extract
CAS Number
80321-63-7
Product Name Alternative
Ginsenoside C-Mx1, Gypenoside IX, Gynosaponin I, Gynostemma Extract, Gynostemma Pentaphyllum, EndogenousMetabolite, Endogenous Metabolite, Notoginsenoside Fd
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
Ethanol:174 mg/mL (189.72 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:174 mg/mL (189.72 mM)
Smiles
[H][C@@]12[C@H] (CC[C@@]1 (C) [C@]1 (C) CC[C@@]3 ([H]) C (C) (C) [C@H] (CC[C@]3 (C) [C@@]1 ([H]) C[C@H]2O) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) [C@] (C) (CCC=C (C) C) O[C@@H]1O[C@H] (CO[C@@H]2OC[C@@H] (O) [C@H] (O) [C@H]2O) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C47H80O17
Molecular Weight
917.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

gypenoside IX

Notoginsenoside Fd has been reported in Panax notoginseng and Panax ginseng with data available.

CAS Number80321-63-7
PubChem CID46887681
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Molecular FormulaC47H80O17
Molecular Weight917.1
XLogP1.9
Topological Polar Surface Area278
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Heavy Atom Count64
Formal Charge0
Complexity1630
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)C
InChI
InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1
InChIKey
ZTQSADJAYQOCDD-HUGMCNGHSA-N
Chemical Structure
2D Structure
2D structure of gypenoside IX
CAS: 80321-63-7
CID: 46887681
Formula: C47H80O17
MW: 917.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight917.1
XLogP31.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Exact Mass916.53955108
Monoisotopic Mass916.53955108
Topological Polar Surface Area278 Ų
Heavy Atom Count64
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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