Arjungenin

Compound Structure:

Synonyms:

Arjungenin;58880-25-4;Arjugenin;(+)-Arjungenin;2alpha,19alpha,23-Trihydroxyoleanolic acid;W5DUN7969Q;UNII-W5DUN7969Q;Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2alpha,3beta,4alpha,19alpha)-

Compound ID:

NMPC-594

PubChem ID:

12444386

Molecular Formula:

C30H48O6

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)O)C

InChIKey:

IFIQVSCCFRXSJV-NWCCWSSZSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	504.7 g/mol
XLogP3-AA	4.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	504.34508925 g/mol
Monoisotopic Mass	504.34508925 g/mol
Topological Polar Surface Area	118Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	975
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
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:

Terminalia glaucescens
Terminalia mantaly

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