Try beta.chemspider
- Charge
- 29 of 29 defined stereocentres
Sodium (3beta,12alpha,22S)-12,17-dihydroxy-18-oxo-18,20:22,25-diepoxylanost-9(11)-en-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-4-O- sulfonato-beta-D-xylopyranoside
C[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)OC)O)CO)O)CO)O)O)O[C@H]4[C@@H](OC[C@H]([C@@H]4O)OS(=O)(=O)[O-])O[C@@H]5[C@@]([C@H]6[C@@](C7=C[C@@H]([C@@]89[C@@]([C@@](OC8=O)([C@H]1O[C@@](CC1)(C)C)C)(CC[C@]9([C@@H]7CC6)C)O)O)(CC5)C)(C)C.[Na+]
InChI=1S/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1/t22-,23-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-;/m1./s1
KXDQPKMJSMCBEY-VOFJYVFSSA-M
CSID:16738001, http://www.chemspider.com/Chemical-Structure.16738001.html (accessed 18:26, May 4, 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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