Sodium (3β,5α,6β,15α,22E,24S)-6,8,15-trihydroxy-3-(β-D-xylopyranosyloxy)ergost-22-en-28-yl sulfate

More details:

• Systematic name

  Sodium (3beta,5alpha,6beta,15alpha,22E,24S)-6,8,15-trihydroxy-3-(beta-D-xylopyranosyloxy)ergost-22-en-28-yl sulfate

• SMILES

  C[C@H](/C=C/[C@@H](COS(=O)(=O)[O-])C(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@]2(C[C@H]([C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C)O)O)C)O.[Na+]

• Std. InChi

  InChI=1S/C33H56O12S.Na/c1-17(2)19(15-44-46(40,41)42)7-6-18(3)21-13-23(34)29-32(21,5)11-9-26-31(4)10-8-20(12-22(31)24(35)14-33(26,29)39)45-30-28(38)27(37)25(36)16-43-30;/h6-7,17-30,34-39H,8-16H2,1-5H3,(H,40,41,42);/q;+1/p-1/b7-6+;/t18-,19+,20+,21-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+;/m1./s1

• Std. InChIKey

  MGVSJFDGGHQQAY-RDLYMIOKSA-M

• Cite this record

  CSID:8970119, http://www.chemspider.com/Chemical-Structure.8970119.html (accessed 16:16, Jun 3, 2024)