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Ginsenoside Rb3

CAT: 1410-M18996-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M18996-06Size:100 mg
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Description
Ginsenoside Rb3 is a natural triterpenoid saponin, exhibiting inhibition effect on TNFα-induced NF-κB transcriptional activity. It also inhibits the induction of COX-2 and iNOS mRNA.
CAS Number
68406-26-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1079.2
Molecular Formula
C53H90O22
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Ginsenoside Rb3

Ginsenoside Rb3 is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(12)-beta-D-glucopyranoside and beta-D-xylopyranosyl-(16)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. It has a role as an antioxidant, an antidepressant, a NMDA receptor antagonist, a neuroprotective agent, a plant metabolite and a cardioprotective agent. It is a beta-D-glucoside, a tetracyclic triterpenoid, a 12beta-hydroxy steroid, a disaccharide derivative and a ginsenoside. It derives from a hydride of a dammarane.

CAS Number68406-26-8
PubChem CID12912363
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(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]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC53H90O22
Molecular Weight1079.3
XLogP0.3
Topological Polar Surface Area357
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count22
Rotatable Bond Count15
Heavy Atom Count75
Formal Charge0
Complexity1950
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@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C
InChI
InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
InChIKey
NODILNFGTFIURN-USYOXQFSSA-N
Chemical Structure
2D Structure
2D structure of Ginsenoside Rb3
CAS: 68406-26-8
CID: 12912363
Formula: C53H90O22
MW: 1079.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1079.3
XLogP30.3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count22
Rotatable Bond Count15
Exact Mass1078.59237449
Monoisotopic Mass1078.59237449
Topological Polar Surface Area357 Ų
Heavy Atom Count75
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OG31930-01Ginsenoside Rk1 - Ginsenoside Rk1:Ginsenoside Rz1 (5:2)
300355Ginsenoside Rg3 (20 (s) -Ginsenoside Rg3)
300354Ginsenoside Rg2 (20 (s) -Ginsenoside Rg2)
CS-BS-00118Ginsenoside F1
IDA45941-01Ginsenoside Ra1
ZKA25028-01Ginsenoside rc
OG31929-01Ginsenoside Rk2
OG31928-01Ginsenoside Rh4
MDA73367-01Ginsenoside RS1
TB0648Ginsenoside F3

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