Try beta.chemspider
- Double-bond stereo
- 28 of 28 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (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-acet amido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
O=C(N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(OC[C@H]5O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@H](O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@H](O)[C@H]3O)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]5O)C(=O)O)C
InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(86)76-44(45(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-98-69-62(94)59(91)65(49(38-79)101-69)105-71-63(95)60(92)64(50(39-80)102-71)104-68-54(75-43(4)82)66(106-70-61(93)58(90)56(88)48(37-78)100-70)57(89)51(103-68)41-99-73(72(96)97)35-46(84)53(74-42(3)81)67(107-73)55(87)47(85)36-77/h31,33,44-51,53-71,77-80,83-85,87-95H,5-30,32,34-41H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,96,97)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73+/m0/s1
AJAAIRDFDICEMQ-RBRFAFJDSA-N
CSID:8662132, http://www.chemspider.com/Chemical-Structure.8662132.html (accessed 15:26, May 3, 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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