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Chemical structure of ArnicolideC

GC35396

ArnicolideC

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] 2-methylpropanoate

ArnicolideC is a sesquiterpene lactone isolated Centipeda minima

ChemicalCAS34532-67-7MW334.41FormulaC19H26O5
CAS number
34532-67-7
Molecular weight
334.41
Formula
C19H26O5
Solubility
Soluble in DMSO
InChIKey
WKUOPGZYLRFCHJ-APDQSUQKSA-N
Catalogue number
GC35396
Brand
GLPBIO
Computed properties PubChem CID 14656910 · XLogP 2.1 · TPSA 69.7 Ų · H-bond donors 0
XLogP
2.1
TPSA
69.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

SMILES C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C(C)C

Computed descriptors from PubChem (CID 14656910), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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