First International Standard for Spiramycin

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For Research Use Only | Not For Clinical Use

CAT	APB8025818
CAS	8025-81-8
Synonyms	Espiramicin
IUPAC Name	2-((4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4R,5S,6R)-5-(((2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-(((5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl)acetaldehyde
Molecular Weight	843.05
Molecular Formula	C43H74N2O14
Canonical SMILES	O=C1O[C@H](C)C/C=C/C=C/[C@H](OC2CC[C@H](N(C)C)[C@@H](C)O2)[C@H](C)C[C@H](CC=O)[C@H](O[C@H]3[C@H](O)[C@@H](N(C)C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@](O)(C)C4)[C@@H](C)O3)[C@@H](OC)[C@H](O)C1
InChI	InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24?,25?,26?,27?,28?,29-,30-,31+,32-,34?,35-,36+,37+,38+,39-,40?,41-,42-,43?/m0/s1

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