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Chemical structure of Avermectin B1a aglycone

GC42881

Avermectin B1a aglycone

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

Avermectin B1a aglycone is an aglycone form of the anthelmintic and insecticide avermectin B1a

ChemicalCAS71828-14-3MW584.7FormulaC34H48O8
CAS number
71828-14-3
Molecular weight
584.7
Formula
C34H48O8
Solubility
Soluble in DMSO
InChIKey
XLEUIYGDSWMLCR-AFVSOJIRSA-N
Catalogue number
GC42881
Brand
GLPBIO
Computed properties PubChem CID 156588893 · XLogP 3 · TPSA 115 Ų · H-bond donors 3
XLogP
3
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
42

SMILES CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(\[C@H]([C@H](/C=C\C=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O)/C)C

Computed descriptors from PubChem (CID 156588893), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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