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Aliphatics

11-Methyltridecanoic acid

11-甲基十三烷酸

PHY-NP-12211 · Natural product research catalog

Catalog numberPHY-NP-12211
CAS number29709-05-5
Molecular formulaC14H28O2
Molecular weight228.376 g/mol
Chemical classAliphatics
Main reported sourceChondrosia reniformis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 11-Methyltridecanoic acid

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10 mgRequest quoteTo be confirmedConfirm in quotation
20 mgRequest quoteTo be confirmedConfirm in quotation
50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

11-Methyltridecanoic acid is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name11-methyltridecanoic acid
SMILESCCC(C)CCCCCCCCCC(=O)O
InChIKeyJIPTZBYHWFNYFB-UHFFFAOYSA-N
Subclass / scaffoldFatty Acids and Conjugates:Branched fatty acids
PubChem CID4052642

Computed properties

Exact mass (Da)228.2089Predicted LogP4.628
Predicted TPSA (Ų)37.3H-bond donors1
H-bond acceptors1Rotatable bonds11

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count0
Aromatic rings0
Fraction Csp³0.929
Synthetic accessibility score2.29
QED score0.523
Lipinski rule violations0
NPClassifier pathwayFatty acids
NPClassifier superclassFatty Acids and Conjugates
NPClassifier classBranched fatty acids
Parent SMILESCCC(C)CCCCCCCCCC(=O)O
Parent formulaC14H28O2
Parent molecular weight228.376
Specified stereocenters0
Unspecified stereocenters1

Reported natural occurrence

Main reported sourceChondrosia reniformis
Reported source familiesAgelasidae; Chondrillidae; Ancorinidae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesChondrosia reniformis[1]; Jaspis stellifera[1]; Myrmekioderma rea[1]
All reported source familiesAgelasidae[1]; Chondrillidae[1]; Ancorinidae[1]; Desmoxyidae[1]
Genus / family recordsAgelas[1]
LOTUS species records3
LOTUS reference records3
COCONUT organism records0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.