Try beta.chemspider
- Charge
- 27 of 27 defined stereocentres
Disodium (3beta)-16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-6-O-sulfonato-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-4-O-sulfonato -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=CC[C@@]67[C@]5(CC(=O)[C@@H]6[C@](OC7=O)(C)CCCC(=C)C)C)C)OS(=O)(=O)[O-])O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)[O-])O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O.[Na+].[Na+]
InChI=1S/C54H84O28S2.2Na/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(64)81-53)77-48-43(35(59)30(21-72-48)82-84(68,69)70)80-45-37(61)36(60)40(24(3)74-45)78-47-39(63)42(34(58)29(76-47)22-73-83(65,66)67)79-46-38(62)41(71-9)33(57)28(20-55)75-46;;/h14,24,26,28-48,55,57-63H,1,10-13,15-22H2,2-9H3,(H,65,66,67)(H,68,69,70);;/q;2*+1/p-2/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
SDJQLOJXYATUSE-DJRNRGNQSA-L
CSID:9161271, http://www.chemspider.com/Chemical-Structure.9161271.html (accessed 14:56, Jun 30, 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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