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Chemical structure of Demethoxydeacetoxypseudolaric acid B

GC68960

Demethoxydeacetoxypseudolaric acid B

Also known as (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxypenta-1,3-dienyl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid

Demethoxydeacetoxypseudolaric acid B is one of the metabolites of pseudolaric acid C2

ChemicalCAS82508-36-9MW376.4FormulaC20H24O7
CAS number
82508-36-9
Molecular weight
376.4
Formula
C20H24O7
InChIKey
QPFFEVMIQIJTGZ-XYWPTNBISA-N
Catalogue number
GC68960
Brand
GLPBIO
Computed properties PubChem CID 6475946 · XLogP 1.4 · TPSA 121 Ų · H-bond donors 3
XLogP
1.4
TPSA
121 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27

SMILES C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)O)O)C(=O)O1)C)/C(=O)O

Computed descriptors from PubChem (CID 6475946), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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