Try beta.chemspider
- Charge
- Double-bond stereo
- 28 of 28 defined stereocentres
Sodium (3beta,12alpha,22E)-12,17,25-trihydroxy-18-oxo-18,20-epoxylanosta-9(11),22-dien-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-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=C[C@@H]([C@@]67[C@]5(CC[C@@]6([C@](OC7=O)(C)/C=C/CC(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)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O.[Na+]
InChI=1S/C54H86O27S.Na/c1-23-39(77-45-38(64)41(33(59)27(21-56)75-45)78-44-37(63)40(71-9)32(58)26(20-55)74-44)35(61)36(62)43(73-23)79-42-34(60)28(81-82(68,69)70)22-72-46(42)76-31-13-16-50(6)25-19-30(57)54-47(65)80-52(8,15-10-14-48(2,3)66)53(54,67)18-17-51(54,7)24(25)11-12-29(50)49(31,4)5;/h10,15,19,23-24,26-46,55-64,66-67H,11-14,16-18,20-22H2,1-9H3,(H,68,69,70);/q;+1/p-1/b15-10+;/t23-,24-,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
DGPLKXJSIZXZEP-RXIHIUIVSA-M
CSID:29214076, http://www.chemspider.com/Chemical-Structure.29214076.html (accessed 14:01, 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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