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Chemical structure of β-Zearalanol-d4

GC72022

β-Zearalanol-d4

Also known as (4S,8S,12E)-7,7,9,9-tetradeuterio-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one

β-Zearalanol-d4 is a deuterium labeled Beta-Zearalanol which can conjugate with glucuronic acid

ChemicalCAS1778735-09-3MW324.4FormulaC18H20D4O5
CAS number
1778735-09-3
Molecular weight
324.4
Formula
C18H20D4O5
InChIKey
FPQFYIAXQDXNOR-ASPIKICLSA-N
Catalogue number
GC72022
Brand
GLPBIO
Computed properties PubChem CID 139025813 · XLogP 4 · TPSA 87 Ų · H-bond donors 3
XLogP
4
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
23

SMILES [2H]C1(CC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O[C@H](CCC([C@H]1O)([2H])[2H])C)[2H]

Computed descriptors from PubChem (CID 139025813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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