Try beta.chemspider
- Charge
- 28 of 29 defined stereocentres
Sodium (3beta,12alpha)-12,17-dihydroxy-18-oxo-18,20:22,25-diepoxylanost-9(11)-en-3-yl 3-O-methyl-alpha-L-glucopyranosyl-(1->3)-alpha-L-allopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-4-O-sul fonato-beta-D-xylopyranoside
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]3CC[C@]4([C@H](C3(C)C)CC[C@@H]5C4=C[C@@H]([C@@]67[C@]5(CC[C@@]6([C@](OC7=O)(C)C8CCC(O8)(C)C)O)C)O)C)OS(=O)(=O)[O-])O)O)O)O[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)OC)O)O.[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-ZYAJUQBRSA-M
CSID:34991187, http://www.chemspider.com/Chemical-Structure.34991187.html (accessed 12:01, Jun 16, 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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