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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H74O15
Molecular Weight 891.0922
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVERMECTIN B2A

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](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(C)=C\C[C@]6([H])C[C@@]([H])(C[C@]7(C[C@H](O)[C@H](C)[C@]([H])(O7)[C@@H](C)CC)O6)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=CWGATOJEFAKFBK-PDVFGPFMSA-N
InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24-,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H74O15
Molecular Weight 891.0922
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 21 / 21
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:49 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:49 GMT 2023
Record UNII
FUJ4Z758WB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVERMECTIN B2A
Common Name English
AVERMECTIN A1A, 5-O-DEMETHYL-22,23-DIHYDRO-23-HYDROXY-, (23S)-
Systematic Name English
L-676897
Code English
(23S)-5-O-DEMETHYL-23-HYDROXY-22,23-DIHYDROAVERMECTIN A1A
Systematic Name English
IVERMECTIN IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90860913
Created by admin on Fri Dec 15 19:47:49 GMT 2023 , Edited by admin on Fri Dec 15 19:47:49 GMT 2023
PRIMARY
PUBCHEM
6441103
Created by admin on Fri Dec 15 19:47:49 GMT 2023 , Edited by admin on Fri Dec 15 19:47:49 GMT 2023
PRIMARY
CAS
65195-57-5
Created by admin on Fri Dec 15 19:47:49 GMT 2023 , Edited by admin on Fri Dec 15 19:47:49 GMT 2023
PRIMARY
FDA UNII
FUJ4Z758WB
Created by admin on Fri Dec 15 19:47:49 GMT 2023 , Edited by admin on Fri Dec 15 19:47:49 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP