Products for Research Use Only
RegisterLogin

Ilexsaponin B3

CAT: 0931-TN1763Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN1763Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
109008-26-6
Target
Others
Related Pathways
Others
Bioactivity
Ilexoside K is a natural product from Ilex pubescens.
Smiles
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)CO7)CC6)[H])[H])([C@](C)(O)[C@@H](C)CC3)[H]
Molecular Formula
C47H76O18
Molecular Weight
929.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ilexsaponin B3

Ilexoside K has been reported in Ilex pubescens with data available.

CAS Number109008-26-6
PubChem CID21626434
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC47H76O18
Molecular Weight929.1
XLogP1
Topological Polar Surface Area295
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count65
Formal Charge0
Complexity1780
SMILES
C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
InChI
InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-39-35(57)33(55)31(53)25(19-49)62-39)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-40-36(29(51)23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,43-,44+,45+,46+,47-/m0/s1
InChIKey
WICIOAMNFCXLEV-DYNXRCEFSA-N
Chemical Structure
2D Structure
2D structure of Ilexsaponin B3
CAS: 109008-26-6
CID: 21626434
Formula: C47H76O18
MW: 929.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight929.1
XLogP31
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass928.50316557
Monoisotopic Mass928.50316557
Topological Polar Surface Area295 Ų
Heavy Atom Count65
Formal Charge0
Complexity1780
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

Related Products

CatalogName
T2S0500-01Ilexsaponin A
TJS0502-01Ilexsaponin B2
TN9059-01Arylomycin B3
TN10783-01Napyradiomycin B3
T19330Fumonisin B3
TN1150-01Procyanidin B3
T34717-01Stevastelin B3
T84583-01Prostaglandin B3
T84569-01Thromboxane B3
T80307-01Dermaseptin-B3

Alternative Products

CatalogName
AB1794Ilexsaponin A
HY-N2638RIlexsaponin A (Standard)
FI74092-01Ilexsaponin B2
MBS3607797-01Ilexsaponin A1
FI74091-01Ilexsaponin B1
GTR19183421Ilexsaponin B3
371569Ilexsaponin A discontinued

Popular Products