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Hederagonic acid

CAT: 1410-M39092-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M39092-02Size:5 mg
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Description
Hederagonic acid , arjunolic acid, bayogenin, and 4-epi-hederagonic acid show moderate potency of glycogen phosphorylase inhibition with IC50 of 53-103 uM.
CAS Number
466-01-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
470.68
Molecular Formula
C30H46O4
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Hederagonic acid

CID 12310388 has been reported in Pulsatilla dahurica, Tripterygium wilfordii, and other organisms with data available.

CAS Number466-01-3
PubChem CID12310388
IUPAC Name(4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Molecular FormulaC30H46O4
Molecular Weight470.7
XLogP6.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity949
SMILES
C[C@]12CCC(=O)[C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO
InChI
InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1
InChIKey
WCXZTKJFWJFMJG-AOIBKUJJSA-N
Chemical Structure
2D Structure
2D structure of Hederagonic acid
CAS: 466-01-3
CID: 12310388
Formula: C30H46O4
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass470.33960994
Monoisotopic Mass470.33960994
Topological Polar Surface Area74.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity949
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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