Epi-doramectin
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| Category | Others |
| Catalog number | BBF-04233 |
| CAS | 1987882-62-1 |
| Molecular Weight | 899.11 |
| Molecular Formula | C50H74O14 |
| Purity | >95% by HPLC |
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Description
It is a base-catalysed intermediate in the decomposition of doramectin. It is formed by epimerisation at the 2-position which ultimately rearranges irreversibly to the isomeric alkene analogue.
Specification
| Synonyms | (2S)-25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-avermectin A1a; Doramectin, epi- |
| Storage | Store at -20°C |
| IUPAC Name | (1'S,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-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-10,14,16,22-tetraene]-2'-one |
| Canonical SMILES | CC1C=CC=C2COC3C2(C(C=C(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/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37+,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 |
| InChI Key | QLFZZSKTJWDQOS-QBFYVVCKSA-N |
Properties
| Appearance | White Solid |
| Boiling Point | 967.4±65.0°C at 760 mmHg |
| Density | 1.3±0.1 g/cm3 |
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Bio Calculators
* 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
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
