Try beta.chemspider
- Double-bond stereo
- 17 of 18 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-mannop yranoside
CC(=O)N[C@H]1C(O[C@@](C[C@@H]1O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@@H]2CO)OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h30,32,40-45,47-57,62-64,66-68,70-74H,4-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b32-30+/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51-,52+,53+,54?,55-,56+,57-,59-/m0/s1
UIKPUUZBQYTDRX-FMNXTUIRSA-N
CSID:76003821, http://www.chemspider.com/Chemical-Structure.76003821.html (accessed 21:15, May 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
Advertisement
Spotlight