Try beta.chemspider
- Double-bond stereo
- 27 of 28 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(tricosanoylamino)-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->3)-2-deoxy-2 -(2-oxopropyl)-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CC(=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)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI=1S/C79H142N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-59(92)81-51(52(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)47-103-75-67(99)65(97)70(57(45-85)106-75)109-77-68(100)73(112-79(78(101)102)41-53(90)60(80-49(4)88)72(111-79)61(93)54(91)42-82)71(58(46-86)107-77)110-74-50(40-48(3)87)69(63(95)56(44-84)104-74)108-76-66(98)64(96)62(94)55(43-83)105-76/h36,38,50-58,60-77,82-86,89-91,93-100H,5-35,37,39-47H2,1-4H3,(H,80,88)(H,81,92)(H,101,102)/b38-36+/t50-,51+,52-,53+,54-,55-,56-,57-,58-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73-,74+,75-,76+,77+,79+/m1/s1
RLQDORSASYKBNB-AUXSPVDNSA-N
CSID:35032208, http://www.chemspider.com/Chemical-Structure.35032208.html (accessed 20:47, Apr 25, 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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