Avermectin B2a

HCID 6441103CAS 135680-93-2

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Basic information

Standard SMILES
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C
InChIKey
CWGATOJEFAKFBK-PDVFGPFMSA-N
Molecular formula
C48H74O15
Average molar mass
891.105 g/mol
Monoisotopic mass
890.50277167

Names & identifiers

Preferred name
Avermectin B2a
IUPAC
[2'R,2a(3)E,4E,4'S,5'S,6S,6'R,7S,8E,11R,15S,17aR,20R,20aR,20bS]-6'-[(2S)-Butan-2-yl]-4',20,20b-trihydroxy-5',6,8,19-tetramethyl-17-oxo-6,10,11,14,15,17,17a,20,20a,20b-decahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-oxan]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
English name
avermectin B2a
Molecular formula
C48H74O15
Molecular weight
891.11

Names & synonyms

Ivermectin Impurity CIvermectin EP Impurity C (Avermectin B2a)C-076B2aAi3-29543avermectin B2aAntibiotic C-076B2aIvermectin EP Impurity7Ivermectin Impurity C(EP)Ivermectin Impurity 3(Ivermectin EP Impurity C)(23S)-5-O-Demethyl-22,23-dihydro-23-hydroxyAvermectin A1a

Database identifiers

CAS
135680-93-2、65195-57-5
PubChem CID
6441103
DTXSID
DTXSID90860913
ChEMBL
CHEMBL264975
UNII
FUJ4Z758WB
EC Number
810-513-9
Nikkaji
J33.376J

Properties

Physicochemical properties

Boiling point
966.4 · 966.4±65.0 °C(Predicted)
Density
1.26 · 1.26±0.1 g/cm3(Predicted)
pka
12.41 · 12.41±0.70(Predicted)
FDA UNII
4 Z758WB · FUJ4Z758WB
Symbol(GHS)
6 · GHS06
Signal word
Danger

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H301
Precautionary statements
P264-P270-P301+P310-P321-P330-P405-P501

Related reactions

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