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- Charge
- 27 of 27 defined stereocentres
Sodium (3beta)-16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl 3-O-methyl-6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-beta-D-xylopyra noside
[Na+].CC1(C)[C@@H]2CC[C@@H]3C(=CC[C@]45[C@H](C(=O)C[C@]43C)[C@](C)(CCCC(C)=C)OC5=O)[C@@]2(C)CC[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
InChI=1S/C54H84O25S.Na/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(65)79-53)75-48-43(33(58)28(57)21-70-48)78-45-37(62)36(61)40(24(3)72-45)76-47-39(64)42(34(59)29(20-55)73-47)77-46-38(63)41(69-9)35(60)30(74-46)22-71-80(66,67)68;/h14,24,26,28-48,55,57-64H,1,10-13,15-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,51-,52+,53+,54-;/m1./s1
CAEUHVNKGQKLOV-OHCASZQMSA-M
CSID:76117748, http://www.chemspider.com/Chemical-Structure.76117748.html (accessed 02:28, Jul 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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