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Chemical structure of Angeloylbinankadsurin A

GC71953

Angeloylbinankadsurin A

Also known as [(9R,10R,11R)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (Z)-2-methylbut-2-enoate

Angeloylbinankadsurin A (compound 7) is an anti-rheumatoid arthritis (RA) agent that can be isolated from EtOAc and CH2Cl2 extracts of Black Tiger Beard

ChemicalCAS77165-80-1MW484.54FormulaC27H32O8
CAS number
77165-80-1
Molecular weight
484.54
Formula
C27H32O8
InChIKey
CQWHTXPRAFEPNO-AWVVPDOTSA-N
Catalogue number
GC71953
Brand
GLPBIO
Computed properties PubChem CID 12004413 · XLogP 5.5 · TPSA 92.7 Ų · H-bond donors 1
XLogP
5.5
TPSA
92.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

SMILES C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@@H](CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)C)C

Computed descriptors from PubChem (CID 12004413), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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