Try beta.chemspider
- Double-bond stereo
- 26 of 28 defined stereocentres
(2S,3R)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-deoxy-2-(2 -oxopropyl)-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
CC(=O)C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)C(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC)[C@H](O)[C@H]1O
InChI=1S/C74H132N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h19-20,45-53,55-72,77-81,84-86,88-95H,5-18,21-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b20-19-/t45-,46+,47-,48+,49?,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1
ZNPJNAAOASHFPP-GUCMKNQKSA-N
CSID:76003946, http://www.chemspider.com/Chemical-Structure.76003946.html (accessed 06:08, Jun 1, 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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