Try beta.chemspider
- Charge
- 34 of 34 defined stereocentres
Sodium (3beta,5alpha,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-glucopyr anosyl]oxy}-20-hydroxy-23-oxocholest-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]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O[C@H]5[C@@H]([C@H](O[C@H]([C@@H]5O)O[C@H]6C[C@H]7[C@@H]8CC[C@@H]([C@]8(CC=C7[C@@]9([C@@H]6C[C@H](CC9)OS(=O)(=O)[O-])C)C)[C@](C)(CC(=O)CC(C)C)O)C)O)CO)C)O)O)O)O)O.[Na+]
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-YJIRIYGWSA-M
CSID:16738096, http://www.chemspider.com/Chemical-Structure.16738096.html (accessed 18:14, Jun 29, 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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