euscaphic acid

Compound Structure:

Synonyms:

Euscaphic acid, Jacarandic acid, Acuminatic acid, Euscapic acid, Euscophic acid, 2alpha,3alpha,19alpha-Trihydroxyurs-12-en-28-oic acid, (2alpha,3alpha)-2,3,19-trihydroxyurs-12-en-28-oic acid, Urs-12-en-28-oic acid, 3,19-trihydroxy-, (2.alpha.,3alpha.)

Compound ID:

NMPC-1047

PubChem ID:

471426

Molecular Formula:

C30H48O5

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O

InChIKey:

OXVUXGFZHDKYLS-QUFHAEKXSA-N

About the compound:

Euscaphic acid is a pentacyclictriterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 19 respectively (the 2alpha,3alpha-stereoisomer). It has been isolated from the leaves of Rosa laevigata. It has a role as a plant metabolite. It is a pentacyclictriterpenoid, a hydroxy monocarboxylic acid and a triol. It derives from a hydride of an ursane.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	488.7 g/mol
XLogP3-AA	5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	488.35017463 g/mol
Monoisotopic Mass	488.35017463 g/mol
Topological Polar Surface Area	98Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	956
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
Physical Description	Solid
Melting Point	270 - 271 °C

Source: PubChem

Source Species:

Hoslundia opposita
Myrianthus arboreus

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