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1β-Hydroxyeuscaphic acid

CAT: 0013-GTR19259907-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259907-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1beta-Hydroxyeuscaphic acid has significant hepatoprotective activity by lowering the leakage of intracellular enzymes, reducing the oxidation of proteins and decreasing the incidence of apoptosis.
CAS Number
120211-98-5
Purity
>98% (HPLC)
Molecular Formula
C30H48O6
Molecular Weight
504.7
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1beta-Hydroxyeuscaphic acid

1beta-Hydroxyeuscaphic acid has been reported in Sanguisorba officinalis and Eriobotrya japonica with data available.

CAS Number120211-98-5
PubChem CID14312996
IUPAC Name(1R,2R,4aS,6aS,6aS,6bR,8aS,10S,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC30H48O6
Molecular Weight504.7
XLogP4
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count36
Formal Charge0
Complexity990
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4([C@@H]([C@H]([C@H](C5(C)C)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI
InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1
InChIKey
VULLSLYDWNGNKZ-FYLGDIBQSA-N
Chemical Structure
2D Structure
2D structure of 1beta-Hydroxyeuscaphic acid
CAS: 120211-98-5
CID: 14312996
Formula: C30H48O6
MW: 504.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.7
XLogP34
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass504.34508925
Monoisotopic Mass504.34508925
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity990
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

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