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Chemical structure of Columbin

GC31749

Columbin

Also known as (1S,2S,3S,5S,8R,11R,12S)-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

A diterpenoid furanolactone with diverse biological activities

ChemicalCAS546-97-4MW358.39FormulaC20H22O6
CAS number
546-97-4
Molecular weight
358.39
Formula
C20H22O6
Solubility
DMSO ： ≥ 100 mg/mL (279·03 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
AALLCALQGXXWNA-DURQJQQASA-N
Catalogue number
GC31749
Brand
GLPBIO
Computed properties PubChem CID 188289 · 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 C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@@H]4C=C[C@]2(C(=O)O4)O)C)C5=COC=C5

Computed descriptors from PubChem (CID 188289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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