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(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-10-[(E)-4-[(E)-[(2R,3S,4R,5S,7R,9S,10R,11S,12S,13R)-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-10-[(2S,3R,4S,6R)-6-methyl-4-[methyl-(phenylmethyl)amino]-3-oxidanyl-oxan-2-yl]oxy-3,4,12-tris(oxidanyl)-14-oxidanylidene-1-oxacyclotetradec-6-ylidene]amino]oxybut-2-enoxy]imino-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one

Systemtic Name:	(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-10-[(E)-4-[(E)-[(2R,3S,4R,5S,7R,9S,10R,11S,12S,13R)-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-10-[(2S,3R,4S,6R)-6-methyl-4-[methyl-(phenylmethyl)amino]-3-oxidanyl-oxan-2-yl]oxy-3,4,12-tris(oxidanyl)-14-oxidanylidene-1-oxacyclotetradec-6-ylidene]amino]oxybut-2-enoxy]imino-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one
Openeye Name:	(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-10-[(E)-4-[(E)-[(2R,3S,4R,5S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-[benzyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,12-trihydroxy-9-methoxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]oxybut-2-enoxy]imino-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
CAS Name:	(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-6-[[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-10-[(E)-4-[(E)-[(2R,3S,4R,5S,7R,9S,10R,11S,12S,13R)-2-ethyl-3,4,12-trihydroxy-10-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl-(phenylmethyl)amino]-2-oxanyl]oxy]-9-methoxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]oxybut-2-enoxy]imino-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
IUPAC Name:	(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-10-[(E)-4-[(E)-[(2R,3S,4R,5S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-[benzyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,12-trihydroxy-9-methoxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]oxybut-2-enoxy]imino-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Traditional Name:	(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-10-[(E)-4-[(E)-[(2R,3S,4R,5S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-[benzyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,12-trihydroxy-14-keto-9-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-ylidene]amino]oxybut-2-enyl]oximino-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Formula:	C₇₀H₁₂₀N₄O₂₀
MolecularWeight:	1337.7166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCC=CCON=C2C(CC(C(C(C(C(C(=O)OC(C(C(C2C)O)(C)O)CC)C)O)C)OC3C(C(CC(O3)C)N(C)CC4=CC=CC=C4)O)(C)OC)C)C(CC(C(C(C(C(C(=O)O1)C)O)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC/C=C/CO/N=C/2\[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]2C)O)(C)O)CC)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC4=CC=CC=C4)O)(C)OC)C)/[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@@H]5[C@H]([C@@H](C[C@@H](O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C70H120N4O20/c1-22-51-69(15,83)59(79)42(7)53(38(3)35-67(13,85-20)61(44(9)55(75)46(11)63(81)91-51)93-65-57(77)49(73(17)18)33-40(5)89-65)71-87-31-27-28-32-88-72-54-39(4)36-68(14,86-21)62(45(10)56(76)47(12)64(82)92-52(23-2)70(16,84)60(80)43(54)8)94-66-58(78)50(34-41(6)90-66)74(19)37-48-29-25-24-26-30-48/h24-30,38-47,49-52,55-62,65-66,75-80,83-84H,22-23,31-37H2,1-21H3/b28-27+,71-53+,72-54+/t38-,39-,40+,41-,42+,43+,44+,45+,46-,47-,49-,50+,51-,52-,55+,56+,57+,58-,59-,60-,61-,62-,65-,66+,67+,68+,69-,70-/m1/s1

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