Product Code

TRC-C988133

CAS Number

220119-16-4

Product Format

Neat

Molecular Formula

C50 H74 O14

Molecular Weight

899.11

Product Categories

TRC, Impurity Reference Materials , Anthelminitics, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

25-Cyclohexyl-5-demethoxy-25-de(1-methylpropyl)-22,23-dihydro-5-oxo-avermectin A1a

CAS Number

220119-16-4

Molecular Formula

C50 H74 O14

Molecular Weight

899.11

Accurate Mass

898.5079

SMILES

CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5C(=O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(CC[C@H](C)[C@H](O7)C8CCCCC8)C6)[C@]45O)C)O[C@@H](C)[C@@H]1O

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/h12-13,16-17,21,27,29,31-33,35-41,43-47,52,54H,9-11,14-15,18-20,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,43-,44-,45-,46-,47+,49+,50+/m0/s1

IUPAC

(1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20S,24S)-6'-cyclohexyl-24-hydroxy-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-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

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25-Cyclohexyl-5-demethoxy-25-de(1-methylpropyl)-22,23-dihydro-5-oxo-avermectin A1a

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