Try beta.chemspider
- Double-bond stereo
- 15 of 18 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1S)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-(4xi)-beta- D-xylo-hexopyranoside
O=C(N[C@@H]1[C@@H](O)C[C@](O[C@H]1C(O)C(O)CO)(O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)[C@@H]2O)OC3[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(=O)O)C
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-CAMSCWSFSA-N
CSID:8117322, http://www.chemspider.com/Chemical-Structure.8117322.html (accessed 06:11, 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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