Glycyrrhetinic acid

Compound Structure:

Synonyms:

(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; Enoxolone; Glycyrrhetic acid; Uralenic acid; 18-beta-Glycyrrhetinic acid

Compound ID:

NMPC-1088

PubChem ID:

10114

Molecular Formula:

C30H46O4

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

InChIKey:

MPDGHEJMBKOTSU-YKLVYJNSSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	885.0 g/mol
XLogP3-AA	1.4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	8
Exact Mass	884.47695082 g/mol
Monoisotopic Mass	884.47695082 g/mol
Topological Polar Surface Area	256Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1620
Isotope Atom Count	0
Defined Atom Stereocenter Count	26
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Borreria verticillata.

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