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Chemical structure of (+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl

GC26701

(+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl

Also known as 6-[(2R)-2-hydroxy-3-methoxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

(+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl is a structural isomer of Ent-toddalolactone, which belongs to the coumarin group

ChemicalCAS137182-35-5MW322.35FormulaC17H22O6
CAS number
137182-35-5
Molecular weight
322.35
Formula
C17H22O6
Solubility
DMSO： 55 mg/mL (170·62 mM)
InChIKey
OWHTXFVUUCBRRM-CQSZACIVSA-N
Catalogue number
GC26701
Brand
GLPBIO
Computed properties PubChem CID 101628130 · XLogP 2 · TPSA 74.2 Ų · H-bond donors 1
XLogP
2
TPSA
74.2 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

SMILES CC(C)([C@@H](CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)OC

Computed descriptors from PubChem (CID 101628130), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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