delta2-Doramectin

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delta2-Doramectin
Category Others
Catalog number BBF-04234
CAS 1987882-63-2
Molecular Weight 899.11
Molecular Formula C50H74O14
Purity >95% by HPLC

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Description

An irreversible base degradation product of doramectin found in animals treated with doramectin and in the environment. It is formed by rearrangement of the naturally occurring 3-group in doramectin to the 2-position. It is an anthelmintic in animal health.

Specification

Synonyms (4S)-25-cyclohexyl-2,3-didehydro-5-O-demethyl-25-de(1-methylpropyl)-3,4-dihydro-avermectin A1a; Doramectin, delta2-; Δ2-Doramectin
Storage Store at -20°C
IUPAC Name (2R,3S,4'S,6S,8'R,10'E,12'S,13'S,16'E,20'R,21'R,22'S,24'R)-2-cyclohexyl-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-1(23),10,14,16-tetraene]-2'-one
Canonical SMILES CC1C=CC=C2COC3C2(C(=CC(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O
InChI InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29-33,35-36,38-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12?,28-17+,34-16+/t27-,29-,30-,31-,32-,35+,36-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1
InChI Key VZOJDURAMSCPBY-FDDNPQALSA-N
Source Semi-synthetic

Properties

Appearance White Solid
Antibiotic Activity Spectrum Parasites
Boiling Point 975.9±65.0°C at 760 mmHg
Density 1.3±0.1 g/cm3
Solubility Soluble in Ethanol, Methanol, DMF, DMSO

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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