[(2R,3R,4Z,6Z,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexade ca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside phosphate (1:1)

More details:

• Systematic name

  [(2R,3R,4Z,6Z,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexade ca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside phosphate (1:1)

• SMILES

  CC[C@@H]1[C@H](/C=C(\C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O

• Std. InChi

  InChI=1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14-,25-19-;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45?,46-;/m1./s1

• Std. InChIKey

  NESIVXZOSKKUDP-SYLHXRFRSA-N

• Cite this record

  CSID:24541361, http://www.chemspider.com/Chemical-Structure.24541361.html (accessed 16:14, Jun 3, 2024)