Try beta.chemspider
- Double-bond stereo
- 15 of 28 defined stereocentres
(2S,3R,4E)-2-(Dodecanoylamino)-3-hydroxy-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-beta-D-erythro-hex-2-ulopyranonosyl-(2->3)-[alpha-L-glycero-hexopyranosyl-(1->3)-2- acetamido-2-deoxy-alpha-L-glycero-hexopyranosyl-(1->4)]-alpha-L-glycero-hexopyranosyl-(1->4)-beta-D-glycero-hexopyranoside
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H](C(O1)CO)O[C@H]2C(C([C@H](C(O2)CO)O[C@H]3C(C([C@H](C(O3)CO)O)O[C@H]4C(C([C@H](C(O4)CO)O)O)O)NC(=O)C)O[C@]5(C[C@@H]([C@@H](C(O5)[C@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCC)O
InChI=1S/C67H119N3O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(78)38(70-46(81)28-26-24-22-19-14-12-10-8-6-2)35-92-63-55(88)53(86)57(44(33-74)95-63)97-65-56(89)61(101-67(66(90)91)29-40(79)47(68-36(3)76)60(100-67)49(82)41(80)30-71)58(45(34-75)96-65)98-62-48(69-37(4)77)59(51(84)43(32-73)93-62)99-64-54(87)52(85)50(83)42(31-72)94-64/h25,27,38-45,47-65,71-75,78-80,82-89H,5-24,26,28-35H2,1-4H3,(H,68,76)(H,69,77)(H,70,81)(H,90,91)/b27-25+/t38-,39+,40-,41-,42?,43?,44?,45?,47-,48?,49-,50-,51-,52?,53?,54?,55?,56?,57+,58-,59?,60?,61?,62-,63+,64-,65-,67+/m0/s1
IGYLDXYJGKHLKB-RIOVGTQCSA-N
CSID:24848834, http://www.chemspider.com/Chemical-Structure.24848834.html (accessed 04:42, May 21, 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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