Asclepic acid

Compound Structure:

Synonyms:

cis-vaccenic acid;506-17-2;cis-11-Octadecenoic acid;(Z)-octadec-11-enoic acid;Asclepic acid;11Z-Octadecenoic acid;(Z)-11-Octadecenoic acid;11-Octadecenoic acid, (Z)-;VACCENIC ACID;cis-octadec-11-enoic acid;Vaccenic acid, cis-;(11Z)-octadec-11-enoic acid

Compound ID:

NMPC-600

PubChem ID:

5282761

Molecular Formula:

C18H34O2

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC(=O)O

InChIKey:

UWHZIFQPPBDJPM-FPLPWBNLSA-N

About the compound:

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	282.5 g/mol
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	282.255880323 g/mol
Monoisotopic Mass	282.255880323 g/mol
Topological Polar Surface Area	37.3Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid

Source: PubChem

Source Species:

Crateva adansonii
Elaeis guineensis
Lagenaria siceraria
Plumbago zeylanica
Urena lobata
Ximenia americana
Azanza garckeana

Download SDF