Milbemectin a3

CAS
51596-10-2
Catalog Number
ACM51596102
Category
Main Products
Molecular Weight
528.68
Molecular Formula
C31H44O7

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Specification

Synonyms
MILBEMECTIN A3;milbemycin;milbemycinb-2;milbemectine a3;milbemycin A3;(25R)-25-Methyl-5β-hydroxy-5-demethoxy-28-O,6β-cyclomilbemycin B;(6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-methylmilbemycin B;Antibiotic B-41A3
IUPAC Name
milbemycin A3
Canonical SMILES
CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C
InChI Key
ZLBGSRMUSVULIE-GSMJGMFJSA-N
Boiling Point
725.5ºC at 760mmHg
Flash Point
233.1ºC
Density
1.21g/cm³
Appearance
white solid
EC Number
610-705-0
Exact Mass
528.30900
Packing Group
III
What is the molecular formula of Milbemectin a3?

The molecular formula of Milbemectin a3 is C31H44O7.

What are the synonyms of Milbemectin a3?

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.

What is the computed IUPAC name of Milbemectin a3?

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.

What is the InChI of Milbemectin a3?

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.

What is the InChI key of Milbemectin a3?

The InChI key of Milbemectin a3 is ZLBGSRMUSVULIE-GSMJGMFJSA-N.

What is the canonical SMILES of Milbemectin a3?

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.

What is the molecular weight of Milbemectin a3?

The molecular weight of Milbemectin a3 is 528.7 g/mol.

What is the CAS number of Milbemectin a3?

The CAS number of Milbemectin a3 is 51596-10-2.

What are the chemical safety hazards associated with Milbemectin a3?

The chemical safety hazards associated with Milbemectin a3 are irritant, health hazard, and environmental hazard.

What is the computed XLogP3 value of Milbemectin a3?

The computed XLogP3 value of Milbemectin a3 is 3.1.

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