Try beta.chemspider
- Charge
- 34 of 34 defined stereocentres
Sodium (3beta,5alpha,6alpha,20R)-6-{[6-deoxy-beta-L-glucopyranosyl-(1->2)-[6-deoxy-beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-beta-D-xylopyranosyl-(1->3)-6-deoxy-beta-D-glucopyranosy l]oxy}-20-hydroxy-23-oxoergost-9(11)-en-3-yl sulfate
C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O)O[C@H]4C[C@H]5[C@@H]6CC[C@@H]([C@]6(CC=C5[C@@]7([C@@H]4C[C@H](CC7)OS(=O)(=O)[O-])C)C)[C@@](C)(CC(=O)[C@H](C)C(C)C)O)C)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C)O)O)O)O)O)O)O.[Na+]
InChI=1S/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23+,24-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,50-,51+,52+,53+,54+,55-,56+,57-;/m1./s1
XXJQXGJSOAYJEV-SSSGPGBUSA-M
CSID:23327009, http://www.chemspider.com/Chemical-Structure.23327009.html (accessed 22:57, Jul 3, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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