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Chemical structure of Isocolumbin

GC60943

Isocolumbin

Also known as 5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

Isocolumbin is a diterpenoid isolated from Jateorhiza palmate Miers (Colombo root)

ChemicalCAS471-54-5MW358.39FormulaC20H22O6
CAS number
471-54-5
Molecular weight
358.39
Formula
C20H22O6
InChIKey
AALLCALQGXXWNA-UHFFFAOYSA-N
Catalogue number
GC60943
Brand
GLPBIO
Computed properties PubChem CID 226036 · XLogP 2.2 · TPSA 86 Ų · H-bond donors 1
XLogP
2.2
TPSA
86 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
26

SMILES CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5

Computed descriptors from PubChem (CID 226036), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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