- Double-bond stereo
- 19 of 22 defined stereocentres
3-Oxo-3-({(1R,5R,7S,8S,9S,10Z,12Z,15R,18S,19S,22R,23S,25R,26S,27S,30R,31S,33R,34S,35S)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-(N'-methylcarb amimidamido)-8-dodecen-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl}oxy)propanoic acid
CNC(=N)NCCC/C=C/CCC[C@H](C)CC(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)CC(C[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)C=CC=CC1C)OC(=O)CC(O)=O
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)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(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
VAYOSPAPALLOIO-OFYXHDPHSA-N
CSID:79715549, http://www.chemspider.com/Chemical-Structure.79715549.html (accessed 20:42, Apr 19, 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