Milbemectin A4

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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)-6-Ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-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: Reference3019

Other Names: Milbemycin A4

Formula: C32H46O7

Class: Endogenous Metabolites Pesticides/Herbicides

Spectral Data

Milbemectin A4 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 Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 2481
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods APCI; NSI
Analyzers FT
Last Modification 9/23/2015 7:18:59 AM
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Identificators

InChI InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1
InChI Key VOZIAWLUULBIPN-LRBNAKOISA-N
Canonical SMILES CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)C
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Other Names Milbemycin A4

In Other Databases

ChemSpider 8134647
PubChem 9959038
Wikipedia Milbemectin (DE)
ChEBI CHEBI:39229