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-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dih ydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosi de
CC(=O)N[C@H]1[C@@H](O[C@@](C[C@@H]1O)(O[C@H](CO)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@@H]2O)O[C@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O)C(O)=O)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(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-120-82-72(113)70(111)76(60(46-97)123-82)126-83-73(114)71(112)75(61(47-98)124-83)125-81-65(91-51(5)101)77(67(108)57(43-94)121-81)127-84-74(115)80(68(109)58(44-95)122-84)131-88(86(118)119)41-55(104)64(90-50(4)100)79(130-88)69(110)59(45-96)128-87(85(116)117)40-54(103)63(89-49(3)99)78(129-87)66(107)56(105)42-93/h36,38,52-61,63-84,93-98,102-105,107-115H,6-35,37,39-48H2,1-5H3,(H,89,99)(H,90,100)(H,91,101)(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
QVHFBHSBMUSROI-YHZDGSNHSA-N
CSID:113383968, http://www.chemspider.com/Chemical-Structure.113383968.html (accessed 02:18, 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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