IUPAC Traditional

2-[(2R,5S,6R)-6-[(2S,3S,4S)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid

Compound number MolPort-046-590-017
Molecular weight 751.011
InChI key KQXDHUJYNAXLNZ-KCHGORLSSA-N
Molecular formula C42H70O11
DMSO Solubility Unknown
SMILES CCC([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)C(CC)[C@H]1O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@H]3CC[C@](O)(CC)[C@H](C)O3)[C@H](O)C=C2)[C@H](C)C[C@@H]1C)C(O)=O |c:46|
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More Information

Compound identifiers

Compound number
MolPort-046-590-017
CAS number
53003-10-4

Names, Synonyms and 3rd Party Identifiers

Salinomycin

InChI

InChI
1/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29?,30?,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
InChI key
KQXDHUJYNAXLNZ-KCHGORLSSA-N

Formula

Molecular formula
C42H70O11
Molecular weight
751.011

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