CAS Number
Molecular Formula
C48H74O14B1a;C47H72O14B1b
Product format
Neat
Molecular Weight
875.11 (B1a) 861.08 (B1b)
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
5-O-Demethyl-22, 23-dihydroavermectin A1a and 5-O-Demethyl-25-de(1-methylpropyl)-22 and 23-dihydro-25-(1-methylethyl)avermectin A1a
Smiles
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)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=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(CC[C@H](C)[C@H](O%14)C(C)C)C%13)[C@]%11%12O)C)O[C@@H](C)[C@@H]8O
Iupac Name
(1R, 4S, 5'S, 6R, 6'R, 8R, 10E, 12S, 13S, 14E, 16E, 20R, 21R, 24S)-6'-[(2S)-butan-2-yl]-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-5', 11, 13, 22-tetramethylspiro[3, 7, 19-trioxatetracyclo[15.6.1.14, 8.020, 24]pentacosa-10, 14, 16, 22-tetraene-6 and 2'-oxane]-2-one
InChI
InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
