calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate

Catalog No. :: ACFBTE186
CAS No. :: 56092-82-1
Molecular Formula :: C41H70CaO9
Molecular Weight :: 747.08

IUPAC Name:calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate

calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate structure diagram

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Product Information

Product Name	calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate
IUPAC Name	calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate
Molecular Formula	C41H70CaO9
Molecular Weight	747.08
SMILES	C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)C=C([O-])[C@H](C)C[C@H](C)CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1.[Ca+2]
InChI Key	WKRWUYKLUMMAKG-LTYVSVOXSA-L
Synonym	Calcium ionomycin.;Ionomycin Ca2+ Salt;Ionomycin Ca2+ salt;(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-Trihydroxy-4,6,8,12,14,18,20-heptamethyl-22-[(2S,2'R,5S,5'S)-octahydro-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyl[2,2'-bifuran]-5-yl]-9-oxo-10,16-docosadienoicacidcalciumsalt;Ionomycin, Calcium Salt, Streptomyces conglobatus - CAS 56092-82-1 - Calbiochem;IONOMYCIN CALCIUM (SQ23377 CALCIUM);ATCC 31005;IONOMYCIN (CA)
CAS No.	56092-82-1

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ACFBTE18656092-82-1

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ACFBTE18656092-82-1

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calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate

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1. ACFBTE186 Molecular Building Block Synthetic Route

2. ACFBTE186 Molecular Building Block Synthetic Route

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calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate

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Synthetic Route by SureRoute

(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid

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