tormentic acid

Compound Structure:

Synonyms:

Tormentic acid ;13850-16-3; Jacarandic acid; tomentic acid; CHEBI:70682

Compound ID:

NMPC-1542

PubChem ID:

73193

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-BLIWDXROSA-N

About the compound:

Tormentic acid is a chemical compound isolated from Lueheadivaricata and Agrimoniaeupatoria. Tormentic acid derivatives have been synthesized and studied.

Properties:

Chemical and Physical Properties

Computed 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

Source:PubChem

Source Species:

Myrianthus arboreus

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