Try beta.chemspider
- Charge
- 33 of 34 defined stereocentres
Sodium (3beta,6alpha)-6-{[6-deoxy-beta-D-galactopyranosyl-(1->2)-6-deoxy-beta-D-glucopyranosyl-(1->4)-[6-deoxy-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl-(1->3)-6-deoxy-beta-D-glucopyranosyl] oxy}-20-hydroxy-23-oxocholest-9(11)-en-3-yl sulfate
[Na+].O=C(CC(C)C)C[C@@](O)(C)[C@H]2CC[C@H]1[C@H]9\C(=C/C[C@@]12C)[C@@]3(C)CC[C@H](OS([O-])(=O)=O)CC3[C@@H](O[C@@H]8O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H]([C@@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]7O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)CO)[C@H]8O)C9
InChI=1S/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(38(63)25(6)77-52)82-54-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(33(20-58)80-54)81-53-48(41(66)37(62)24(5)78-53)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,27+,28+,29+,31?,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
CSEOEWPHGREZTF-XMEQOWJXSA-M
CSID:9084651, http://www.chemspider.com/Chemical-Structure.9084651.html (accessed 22:48, 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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