(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[(4-ethynylphenyl)methyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione

Systemtic Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[(4-ethynylphenyl)methyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione Openeye Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[(4-ethynylphenyl)methyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione CAS Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-6-[[(2S,3R,4S,6R)-4-[(4-ethynylphenyl)methyl-methylamino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione IUPAC Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[(4-ethynylphenyl)methyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione Traditional Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[(4-ethynylbenzyl)-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone Formula: C38H59NO10 MolecularWeight: 689.87576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)N(C)CC3=CC=C(C=C3)C#C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)CC3=CC=C(C=C3)C#C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C38H59NO10/c1-12-26-14-16-27(17-15-26)20-39(10)28-18-22(4)47-36(32(28)42)49-34-24(6)31(41)25(7)35(44)48-29(13-2)38(9,45)33(43)23(5)30(40)21(3)19-37(34,8)46-11/h1,14-17,21-25,28-29,31-34,36,41-43,45H,13,18-20H2,2-11H3/t21-,22-,23+,24+,25-,28+,29-,31+,32-,33-,34-,36+,37-,38-/m1/s1