51330-27-9 Purity
98%
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Specification
The molecular formula of Milbemectin a3 is C31H44O7.
The synonyms of Milbemectin a3 are Milbemycin A3, Milbemectin, Emamectin A3, Milbemycin alpha4, Milbemycin beta12, Milbemycin alpha13, Milbemycin alpha14, Milbemectin [ISO], Matsuguard, Milbeknock, Koromite, Ultiflora, Milbemycin, Milbemycin alpha15, Antibiotic B 41A3, Gowan 1725, UNII-C76Y8Z9GEX, C76Y8Z9GEX, 51570-36-6, CHEBI:39228, GWN 1725, and more.
The computed IUPAC name of Milbemectin a3 is (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.
The InChI of Milbemectin a3 is InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1.
The InChI key of Milbemectin a3 is ZLBGSRMUSVULIE-GSMJGMFJSA-N.
The canonical SMILES of Milbemectin a3 is CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4( C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C.
The molecular weight of Milbemectin a3 is 528.7 g/mol.
The CAS number of Milbemectin a3 is 51596-10-2.
The chemical safety hazards associated with Milbemectin a3 are irritant, health hazard, and environmental hazard.
The computed XLogP3 value of Milbemectin a3 is 3.1.