Try beta.chemspider
- Double-bond stereo
- 22 of 22 defined stereocentres
3-Oxo-3-({(1R,3R,5S,7R,8S,9R,12E,14S,15R,18R,19R,20E,22S,23R,25S,26R,27S,30S,31R,33S,34R,35S)-3,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-(N''-me thylcarbamimidamido)-8-dodecen-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-5-yl}oxy)propanoic acid
C[C@H](C[C@H](C)[C@H]1OC(=O)[C@H](C)[C@H](O)C=C[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)CC[C@H](C)[C@H](O)C[C@]2(O)O[C@@H](C[C@H](O)[C@H]2O)C[C@@H](O)C[C@@H](C[C@@H](O)[C@H](C)[C@H](O)C=CC=C[C@@H]1C)OC(=O)CC(O)=O)CCC/C=C/CCCNC(N)=NC |t:13,57|
InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)29-43(78-54(74)32-53(72)73)27-42(63)28-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15+,20-16?,24-21+/t34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,48+,49+,50-,51-,52+,55-,56+,59-/m0/s1
XUFXJNAQSHPBTO-FQAUKYCISA-N
CSID:78439036, http://www.chemspider.com/Chemical-Structure.78439036.html (accessed 20:33, 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
Advertisement
Spotlight