D-allo-D-talo-L-ido-D-gulo-octacos-19-enitol, 1,5:12,16-dianhydro-4,8,9,10,13,19,20,21,22,24,27,28-dodecadeoxy-1-C-[(1S,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-20-methyl-8-methylene-27-[(2S,8E)-2,3,12-trihydroxy-5-methyl-11-(sulfooxy)-8-dodecen-1-yl]-, sodium salt, (1R,19E)- (1:1)

More details:

• Systematic name

  Sodium (4E,11S,13S,14R,15S,17S,20E,22R,23S)-23-{(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-{(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-4,5-dihydroxytetrahydro-2H-pyran-2- yl}-1,5,6-trihydroxy-4-methylenehexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-1,10,11,14,15,17,22,23-octahydroxy-8,13,20-trimethyl-4,20-tricosadien-2-yl sulfate

• SMILES

  C[C@@H](C[C@@H](C(CC(C)CC/C=C/CC(CO)OS(=O)(=O)[O-])O)O)[C@H]([C@H](C[C@H](CC/C(=C/[C@H]([C@@H]([C@H]1[C@@H]([C@@H](C[C@@H](O1)[C@@H](CCC(=C)[C@H]([C@H]([C@H]2C[C@H]([C@H]([C@@H](O2)[C@H]([C@@H](/C=C/CC/C=C/C=C/C=C/CCC=C)O)O)O)O)O)O)O)O)O)O)O)/C)O)O)O.[Na+]

• Std. InChi

  InChI=1S/C59H100O23S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-42(63)53(72)58-56(75)48(69)33-50(81-58)57(76)52(71)37(4)25-27-41(62)49-32-47(68)55(74)59(80-49)54(73)45(66)29-36(3)24-26-39(61)31-46(67)51(70)38(5)30-44(65)43(64)28-35(2)21-18-17-19-22-40(34-60)82-83(77,78)79;/h6,9-14,17,19-20,23,29,35,38-76H,1,4,7-8,15-16,18,21-22,24-28,30-34H2,2-3,5H3,(H,77,78,79);/q;+1/p-1/b10-9+,12-11+,14-13+,19-17+,23-20+,36-29+;/t35?,38-,39-,40?,41+,42+,43?,44-,45+,46-,47+,48+,49+,50+,51+,52+,53-,54-,55+,56+,57-,58-,59-;/m0./s1

• Std. InChIKey

  BDNPNJLFWPTWDX-ALLWHJLESA-M

• Cite this record

  CSID:9666600, http://www.chemspider.com/Chemical-Structure.9666600.html (accessed 01:23, Jun 30, 2024)