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Aliphatics

Npc146197

9,10-氘代油酸-d2

PHY-NP-12249 · Natural product research catalog

Catalog numberPHY-NP-12249
CAS number5711-29-5
Molecular formulaC18H34O2
Molecular weight284.48 g/mol
Chemical classAliphatics
Main reported sourceAgrimonia pilosa
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Npc146197

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Product information

Npc146197 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 name(Z)-9,10-dideuteriooctadec-9-enoic acid
SMILES[2H]/C(=C(\[2H])/CCCCCCCC(=O)O)/CCCCCCCC
InChIKeyZQPPMHVWECSIRJ-FGFBQCSHSA-N
Subclass / scaffoldFatty Acids and Conjugates:Branched fatty acids
PubChem CID13011408

Computed properties

Exact mass (Da)284.2684Predicted LogP6.1085
Predicted TPSA (Ų)37.3H-bond donors1
H-bond acceptors1Rotatable bonds15

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

View additional properties & classification
Ring count0
Aromatic rings0
Fraction Csp³0.833
Synthetic accessibility score3.23
QED score0.291
Lipinski rule violations1
NPClassifier pathwayFatty acids
NPClassifier superclassFatty Acids and Conjugates
NPClassifier classBranched fatty acids
Parent SMILES[2H]/C(CCCCCCCC)=C(\[2H])CCCCCCCC(=O)O
Parent formulaC18H34O2
Parent molecular weight284.48
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceAgrimonia pilosa

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsAgrimonia pilosa; Allium tuberosum; Aloe africana; Aloe ferox; Aloe spicata; Aloe vera; Alpinia oxyphylla; Aquilaria agallochum; Aquilaria sinensis; Artemisia capillaris; Atractylodes lancea; Atractylodes macrocephala; Benincasa hispida; Brucea javanica; Bupleurum chinense; Bupleurum falcatum; Bupleurum scorzonerifolium; Cannabis sativa; Capsicum annuum; Carthamus tinctorius; Celosia cristada; Cibotium barometz; Cissampelos pareira; Croton tiglium; Cullen corylifolium; Curcuma kwangsiensis; Curcuma longa; Curcuma phaeocaulis; Curcuma wenyujin; Curcuma zedoaria
COCONUT organism records89
COCONUT identifierCNP0142072.4

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

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