Substance
- Substance Name: Avermectin A1a, 5-O-demethyl-
- Formula: C48H72O14
- Molecular Weight: 873.1 g/mol
- Identifiers:
- casrn: 65195-55-3
- pubchemId: 6434889
- inchi: InChI=1S/C48H72O14/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/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/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
- inchikey: RRZXIRBKKLTSOM-XPNPUAGNSA-N
- csmiles: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
- ismiles: 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=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
- iupacname: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(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-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
- wikidataId: Q44107971
- dsstoxcmpId: DTXCID403892
- ecnumber: 265-610-3
Avermectin A1a, 5-O-demethyl-
Systems and Datasets
- methanol + Avermectin A1a, 5-O-demethyl- (Datasets: 1)
- Dataset 1 in paper 10.1021/je900772h (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- 1-propanol + Avermectin A1a, 5-O-demethyl- (Datasets: 1)
- Dataset 3 in paper 10.1021/je900772h (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- 1-butanol + Avermectin A1a, 5-O-demethyl- (Datasets: 1)
- Dataset 5 in paper 10.1021/je900772h (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- isopropyl ether + Avermectin A1a, 5-O-demethyl- (Datasets: 1)
- Dataset 6 in paper 10.1021/je900772h (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- methanol + water + Avermectin A1a, 5-O-demethyl- (Datasets: 1)
- Dataset 7 in paper 10.1021/je900772h (Dataseries: 5, Datapoints: 45, Quantity: Amount concentration)
- ethanol + Avermectin B1a (Datasets: 1)
- Dataset 2 in paper 10.1021/je900772h (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- propan-2-ol + Avermectin B1a (Datasets: 3)
- Dataset 4 in paper 10.1021/je900772h (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- Dataset 7 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- Dataset 8 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- Avermectin B1a (Datasets: 2)
- Dataset 1 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- acetone + water + Avermectin B1a (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 6, Datapoints: 42, Quantity: Mole fraction)
- acetone + hexane + Avermectin B1a (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 7, Datapoints: 63, Quantity: Mole fraction)
- propan-2-ol + hexane + Avermectin B1a (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 7, Datapoints: 63, Quantity: Mole fraction)
- acetone + Avermectin B1a (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2016.10.022 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)