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Chemical structure of δ2-Doramectin

GC40819

δ2-Doramectin

Also known as (2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,22'S,24'R)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(23),10,14,16-tetraene]-2'-one

δ2-Doramectin is a doramectin degradation product formed by the reversible base-catalyzed isomerization of doramectin

ChemicalCAS1987882-63-2MW899.1FormulaC50H74O14
CAS number
1987882-63-2
Molecular weight
899.1
Formula
C50H74O14
Solubility
Soluble in DMSO
InChIKey
VZOJDURAMSCPBY-BSRNKLFSSA-N
Catalogue number
GC40819
Brand
GLPBIO
Computed properties PubChem CID 137700395 · XLogP 5.1 · TPSA 170 Ų · H-bond donors 3
XLogP
5.1
TPSA
170 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
64

SMILES C[C@H]1/C=C\C=C2CO[C@H]3[C@@]2(C(=C[C@@H]([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)/C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O

Computed descriptors from PubChem (CID 137700395), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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