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Chemical structure of 3'-O-Acetylhamaudol

GC35098

3'-O-Acetylhamaudol

Also known as [(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate

3'-O-Acetylhamaudol, isolated from Angelica japonica roots, exhibits anti-tumor activity through dual actions, anti-angiogenesis and intestinal intraepithelial lymphocyte activation

ChemicalCAS30358-88-4MW318.32FormulaC17H18O6
CAS number
30358-88-4
Molecular weight
318.32
Formula
C17H18O6
Solubility
Soluble in DMSO
InChIKey
ZHMBJOBSCRAOAO-AWEZNQCLSA-N
Catalogue number
GC35098
Brand
GLPBIO
Computed properties PubChem CID 5315865 · XLogP 2.7 · TPSA 82.1 Ų · H-bond donors 1
XLogP
2.7
TPSA
82.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23

SMILES CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)OC(=O)C)(C)C)O

Computed descriptors from PubChem (CID 5315865), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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