Products for Research Use Only
RegisterLogin

Escin IB

CAT: 0013-GTR19158012-02Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19158012-02Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Escin IB is a saponin isolated from skin and the endosperm of seeds of horse chestnut (Aesculus hippocastanum) . Escin IB shows inhibitory effect on pancreatic lipase activity.
CAS Number
26339-90-2
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (88.40 mM)
Smiles
OC[C@]1 ([C@H]2OC (C) =O) [C@] (CC (C) (C) [C@H]2OC (/C (C) =C\C) =O) ([H]) C3=CC[C@@]4 ([H]) [C@@] (C) (CC[C@]5 ([H]) [C@@]4 (CC[C@H] (O[C@@] (O[C@H] (C (O) =O) [C@@H] (O[C@] ([C@@H] ([C@@H] (O) [C@@H]6O) O) ([H]) O[C@@H]6CO) [C@@H]7O) ([H]) [C@@H]7O[C@] ([C@@H] ([C@@H] (O) [C@@H]8O) O) ([H]) O[C@@H]8CO) [C@]5 (C) CO) C) [C@]3 (C) -; @C[C@H]1O
Molecular Formula
C??H??O??
Molecular Weight
1131.26
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Escin Ib

Aescin is a triterpenoid saponin.

CAS Number26339-90-2
PubChem CID6476031
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
Molecular FormulaC55H86O24
Molecular Weight1131.3
XLogP0.7
Topological Polar Surface Area388
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Heavy Atom Count79
Formal Charge0
Complexity2300
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C
InChI
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
InChIKey
AXNVHPCVMSNXNP-OXPBSUTMSA-N
Chemical Structure
2D Structure
2D structure of Escin Ib
CAS: 26339-90-2
CID: 6476031
Formula: C55H86O24
MW: 1131.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1131.3
XLogP30.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Exact Mass1130.55090361
Monoisotopic Mass1130.55090361
Topological Polar Surface Area388 Ų
Heavy Atom Count79
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19161025-01Escin
GTR19176280-01Escin
GTR19228635-01Escin IV
GTR19169327-01Escin IA
GTR19189562Escin Ie
GTR19183919-01Escin IIA
GTR19183514-01Escin IIB
GTR19165819-01Beta-Escin
GTR19156445-01Beta-Escin
GTR19157123-01Escin IA; Aescin IA

Alternative Products

CatalogName
MBS575884Escin
FE145233-01Escin IA
IGA80083-01Escin Iib
MBS3612993-01beta-Escin

Popular Products