Try beta.chemspider
- Double-bond stereo
- 34 of 34 defined stereocentres
(2S,3R,4E)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R, 2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyr anoside
CC(=O)N[C@H]1[C@@H](O[C@@](C[C@@H]1O)(O[C@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@H](O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
InChI=1S/C88H156N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(101)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-120-82-73(114)71(112)75(59(45-96)123-82)126-84-74(115)80(131-88(86(118)119)41-55(103)64(90-50(4)99)79(130-88)67(108)57(105)43-94)76(60(46-97)124-84)127-81-65(91-51(5)100)77(128-83-72(113)70(111)68(109)58(44-95)122-83)69(110)61(125-81)48-121-87(85(116)117)40-54(102)63(89-49(3)98)78(129-87)66(107)56(104)42-93/h36,38,52-61,63-84,93-97,101-105,107-115H,6-35,37,39-48H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,116,117)(H,118,119)/b38-36+/t52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72+,73+,74+,75+,76-,77+,78+,79+,80+,81-,82+,83-,84-,87+,88-/m0/s1
OHSODNZOWAIGIA-AYMWGWKFSA-N
CSID:113383899, http://www.chemspider.com/Chemical-Structure.113383899.html (accessed 02:21, 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
Click to predict properties on the Chemicalize site
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