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Chemical structure of Pseudolaric Acid C2

GC37027

Pseudolaric Acid C2

Also known as (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

Pseudolaric Acid C2, a diterpenoid isolated from Pseudolarix kaempferi, is identified as the specific metabolite of Pseudolaric acid B in plasma, urine, bile and feces after both oral and intravenous administration to rats

ChemicalCAS82508-35-8MW418.44FormulaC22H26O8
CAS number
82508-35-8
Molecular weight
418.44
Formula
C22H26O8
Solubility
DMSO ： 50 mg/mL (119·49 mM; Need ultrasonic)
InChIKey
ZPSQWDVEMDWXPJ-HPHAYBORSA-N
Catalogue number
GC37027
Brand
GLPBIO
Computed properties PubChem CID 6475945 · XLogP 2 · TPSA 127 Ų · H-bond donors 2
XLogP
2
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30

SMILES C/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

Computed descriptors from PubChem (CID 6475945), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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