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Chemical structure of Britannin

GC35555

Britannin

Also known as [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

Britannin, isolated from Inula aucheriana, is a sesquiterpene lactone

ChemicalCAS33627-28-0MW366.41FormulaC19H26O7
CAS number
33627-28-0
Molecular weight
366.41
Formula
C19H26O7
Solubility
DMSO ： 250 mg/mL (682·30 mM; Need ultrasonic)
InChIKey
JXEGMONJOSAULB-IZZBGLMFSA-N
Catalogue number
GC35555
Brand
GLPBIO
Computed properties PubChem CID 14466541 · XLogP 1.9 · TPSA 99.1 Ų · H-bond donors 1
XLogP
1.9
TPSA
99.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

SMILES C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2

Computed descriptors from PubChem (CID 14466541), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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