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Chemical structure of Rocagloic acid

GC61249

Rocagloic acid

Also known as (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid

Rocagloic acid is a racaglamide derivative isolated from the fruits of Amoora cucullata with potent cytotoxicity

ChemicalCAS190385-15-0MW478.49FormulaC27H26O8
CAS number
190385-15-0
Molecular weight
478.49
Formula
C27H26O8
Solubility
DMSO： 200 mg/mL (417·98 mM)
InChIKey
HLORMQRMDNZHJH-PXIJUOARSA-N
Catalogue number
GC61249
Brand
GLPBIO
Computed properties PubChem CID 10322821 · XLogP 2.9 · TPSA 115 Ų · H-bond donors 3
XLogP
2.9
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

SMILES COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)O)C5=CC=CC=C5

Computed descriptors from PubChem (CID 10322821), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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