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Chemical structure of Brevilin A

GC35554

Brevilin A

Also known as [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (Z)-2-methylbut-2-enoate

A sesquiterpene lactone with anticancer activity

ChemicalCAS16503-32-5MW346.42FormulaC20H26O5
CAS number
16503-32-5
Molecular weight
346.42
Formula
C20H26O5
Solubility
DMSO： 250 mg/mL (721·67 mM)
InChIKey
KUPPZVXLWANEJJ-UXPPPGSFSA-N
Catalogue number
GC35554
Brand
GLPBIO
Computed properties PubChem CID 12302076 · XLogP 2.3 · TPSA 69.7 Ų · H-bond donors 0
XLogP
2.3
TPSA
69.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25

SMILES C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C

Computed descriptors from PubChem (CID 12302076), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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