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Enoxolone

CAT: 0957-S2296-01Size: 500 mgDry Ice: YesHazardous: No
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CAT#:0957-S2296-01Size:500 mg
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Description
Enoxolone (Glycyrrhetin) is a pentacyclic triterpenoid derivative of the beta-amyrin type obtained from the hydrolysis of glycyrrhizic acid, which was obtained from the herb liquorice.
CAS Number
471-53-4
Synonyms
Glycyrrhetin
Target
Dehydrogenase
Activity
Metabolism
Molecular Formula
C30H46O4
Storage Conditions
2 years -80 in solvent

Chemical Information

Glycyrrhetinic Acid

Glycyrrhetinic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. It has a role as an immunomodulator and a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and a cyclic terpene ketone. It is a conjugate acid of a glycyrrhetinate. It derives from a hydride of an oleanane.

CAS Number471-53-4
PubChem CID10114
IUPAC Name(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Molecular FormulaC30H46O4
Molecular Weight470.7
XLogP6.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity965
SMILES
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
InChI
InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey
MPDGHEJMBKOTSU-YKLVYJNSSA-N
Chemical Structure
2D Structure
2D structure of Glycyrrhetinic Acid
CAS: 471-53-4
CID: 10114
Formula: C30H46O4
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass470.33960994
Monoisotopic Mass470.33960994
Topological Polar Surface Area74.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B5986-1000Enoxolone
MBS8506374-01Enoxolone (Glycyrrhetin)
MBS384676-01Glycyrrhetinic acid (Enoxolone)
RM-E141501-01Enoxolone EP Impurity A
MBS577299Glycyrrhetinic acid(Enoxolone)
AR-G01575-01Glycyrrhetic Acid (Enoxolone)
A10353-10000Glycyrrhetinic acid (Enoxolone) 10g
RM-E141502-01Enoxolone EP Impurity B
A10353-5000Glycyrrhetinic acid (Enoxolone) 5g
A10353-1000Glycyrrhetinic acid (Enoxolone) 1g

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