[(2S,3S,4R,6R)-6-[[(3R,4S,5R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-7-[(2R,4R,5R,6S)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyl-oxan-3-yl] acetate
Molecular Formula:
C46H82N2O16
InChI: InChI=1/C46H82N2O16/c1-17-32-46(12,56)39(53)24(4)35(50)22(2)20-45(11,64-33-19-31(48(15)16)36(51)27(7)58-33)40(63-43-37(52)30(47(13)14)18-23(3)57-43)25(5)38(26(6)42(54)61-32)62-34-21-44(10,55)41(28(8)59-34)60-29(9)49/h22-28,30-34,36-41,43,51-53,55-56H,17-21H2,1-16H3/t22-,23-,24+,25+,26-,27+,28+,30+,31-,32-,33-,34+,36+,37-,38+,39-,40-,41+,43+,44-,45-,46-/m1/s1
InChIKey: InChIKey=WJOASKOPJZDBAH-ZHECMZGXBR
SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC4CC(C(C(O4)C)O)N(C)C)C)C)O)(C)O
Names:
[(2S,3S,4R,6R)-6-[[(3R,4S,5R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-7-[(2R,4R,5R,6S)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyl-oxan-3-yl] acetate
Registries:
PubChem CID 9854394
PubChem ID 14816439
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