Try beta.chemspider
- Double-bond stereo
- 15 of 23 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl (4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-L-erythro -hexopyranosyl-(1->4)-alpha-L-erythro-hexopyranosyl-(1->4)-beta-D-threo-hexopyranoside
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O[C@H]3C([C@H]([C@H](C(O3)CO[C@@]4(CC([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI=1S/C65H117N3O26/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42(74)41(68-48(77)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-87-62-56(83)54(81)59(45(35-70)89-62)93-63-57(84)55(82)58(46(36-71)90-63)92-61-50(67-40(4)73)53(80)52(79)47(91-61)38-88-65(64(85)86)33-43(75)49(66-39(3)72)60(94-65)51(78)44(76)34-69/h29,31,41-47,49-63,69-71,74-76,78-84H,5-28,30,32-38H2,1-4H3,(H,66,72)(H,67,73)(H,68,77)(H,85,86)/b31-29+/t41-,42+,43?,44+,45?,46?,47?,49+,50?,51+,52-,53+,54+,55+,56?,57?,58-,59+,60?,61-,62+,63-,65+/m0/s1
VJRKUQJJFXCQIM-IRWYTRACSA-N
CSID:24849586, http://www.chemspider.com/Chemical-Structure.24849586.html (accessed 08:32, Apr 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
Click to predict properties on the Chemicalize site
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