Milbemectin A3

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Systematic / IUPAC Name: (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-5,6,11',13',22'-pentamethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~ 0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one

ID: Reference3079

Other Names: Milbemycin A3;
Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-methyl, (6R,25R)-

Formula: C31H44O7

Class: Pesticides/Herbicides Endogenous Metabolites

Spectral Data

Milbemectin A3 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 86
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 2/19/2025 3:08:59 PM
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Identificators

InChI 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
InChI Key ZLBGSRMUSVULIE-GSMJGMFJSA-N
Canonical SMILES CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C
CAS 51596102
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Other Names Milbemycin A3;
Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-methyl, (6R,25R)-

In Other Databases

PubChem 9828343
ChemSpider 8004083
KEGG C18557
ChEBI CHEBI:39228
Wikipedia Milbemycin; Milbemectin (DE)