Try beta.chemspider
- Charge
- 27 of 29 defined stereocentres
Sodium (3beta,12alpha)-12,17,22-trihydroxy-18-oxo-18,20-epoxylanosta-9(11),24-dien-3-yl 3-O-methyl-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-4-O-sulfona to-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)C(CC=C(C)C)O)O)C)O)C)OS(=O)(=O)[O-])O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)OC9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O.[Na+]
InChI=1S/C54H86O27S.Na/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45;/h10,18,23-24,26-47,55-65,67H,11-17,19-21H2,1-9H3,(H,68,69,70);/q;+1/p-1/t23-,24-,26-,27-,28-,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45?,46+,47+,50-,51+,52+,53+,54-;/m1./s1
REYDFFCVBUIDNN-IHDUVMIOSA-M
CSID:29214079, http://www.chemspider.com/Chemical-Structure.29214079.html (accessed 11:44, 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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