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- Double-bond stereo
- 28 of 28 defined stereocentres
(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-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)-2-acetamido-2-deoxy-beta-D -galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
CC(=O)N[C@H]1[C@@H](O[C@@](C[C@@H]1O)(O[C@@H]1[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@@H]1O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](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)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)[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@H](O)[C@H](O)CO
InChI=1S/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)66(99)71(58(47-88)109-77)111-78-69(102)67(100)72(59(48-89)110-78)112-79-70(103)75(65(98)57(46-87)108-79)113-76-62(83-51(4)91)74(64(97)56(45-86)107-76)115-81(80(104)105)43-54(93)61(82-50(3)90)73(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,53+,54-,55+,56+,57+,58+,59+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71+,72-,73+,74+,75-,76-,77+,78-,79+,81-/m0/s1
ZFFVVRJCAANFAR-LMLAPTLJSA-N
CSID:113383749, http://www.chemspider.com/Chemical-Structure.113383749.html (accessed 07:03, May 15, 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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