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Diterpenoids

Pseudolaric Acid C2

去甲基土荆皮乙酸

PHY-NP-02360 · Natural product research catalog

Catalog numberPHY-NP-02360
CAS number82508-35-8
Molecular formulaC22H26O8
Molecular weight418.442 g/mol
Chemical classDiterpenoids
Main reported sourceLarix kaempferi
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pseudolaric Acid C2

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Product information

Pseudolaric Acid C2 is listed in the Diterpenoids 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(1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-4-carboxypenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid
SMILESC/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)O)OC(=O)C)C(=O)O1)C)/C(=O)O
InChIKeyZPSQWDVEMDWXPJ-HPHAYBORSA-N
PubChem CID6475945

Computed properties

Exact mass (Da)418.1628Predicted LogP2.7822
Predicted TPSA (Ų)127.2H-bond donors2
H-bond acceptors6Rotatable bonds5

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

View additional properties & classification
Ring count3
Aromatic rings0
Fraction Csp³0.545
Synthetic accessibility score5.36
QED score0.396
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassDiterpenoids
Parent SMILESCC(=O)O[C@]12CCC(C(=O)O)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O
Parent formulaC22H26O8
Parent molecular weight418.442
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceLarix kaempferi
Reported source familiesPinaceae

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

View occurrence records & references
LOTUS / Wikidata speciesLarix kaempferi[1]; Pseudolarix amabilis[1]
All reported source familiesPinaceae[2]
LOTUS species records2
LOTUS reference records1
COCONUT occurrence recordsAloe perryi; Bipolaris oryzae; Chrysanthemum ornatum; Dacrydium comosum; Delia paludosa; Gastrodia elata; Hibiscus vitifolius; Larix kaempferi; Pedalium murex; Pelophylax nigromaculatus; Plumeria acutifolia; Pseudolarix amabilis; Pseudolarix kaempferi; Sclerocarya birrea; Turnera angustifolia; pseudolarix kaempfri
COCONUT organism records16
COCONUT identifierCNP0338398.1

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.