Try beta.chemspider
- Charge
- 29 of 29 defined stereocentres
Disodium (3beta,5alpha)-4,4,14-trimethyl-7,11,20-trioxopregn-8-en-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-6-O-sulfonato-beta-D-glucopyranosyl-(1->4)-[beta-D-xylopyranosyl-(1->2)]-6-deoxy-beta-D-g lucopyranosyl-(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(=O)C5=C4C(=O)C[C@]6([C@]5(CC[C@@H]6C(=O)C)C)C)C)OS(=O)(=O)[O-])O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)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/C53H82O32S2.2Na/c1-19(55)21-9-12-52(6)31-22(56)13-28-50(3,4)29(10-11-51(28,5)30(31)23(57)14-53(21,52)7)80-48-43(35(62)27(17-75-48)85-87(70,71)72)84-49-44(83-45-36(63)32(59)24(58)16-74-45)37(64)40(20(2)77-49)81-47-39(66)42(34(61)26(79-47)18-76-86(67,68)69)82-46-38(65)41(73-8)33(60)25(15-54)78-46;;/h20-21,24-29,32-49,54,58-66H,9-18H2,1-8H3,(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/t20-,21-,24-,25-,26-,27-,28+,29+,32+,33-,34-,35+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,51+,52+,53-;;/m1../s1
NYHBPFBROAZWGU-FYJOAHMFSA-L
CSID:60597170, http://www.chemspider.com/Chemical-Structure.60597170.html (accessed 15:50, 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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