Try beta.chemspider
- Double-bond stereo
- 4 of 19 defined stereocentres
(19E,21Z,23Z,25E,27E,29E,31Z)-33-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxo-hexyl]-1,3,5,7,11,13,37-heptahydroxy-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
O=C(c1ccc(N)cc1)CC(O)CCC(C)C4OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2(O)OC(C(C(=O)O)C(O)C2)CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C\C=C/C=C\C=C/C=C/C=C\C=C/C4C
InChI=1S/C58H86N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-43(64)27-40(61)18-16-19-41(62)28-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-46,48-49,51-55,57,61-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,41?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57?,58?/m1/s1
FNCPECYULVHYCJ-DSPAWGEJSA-N
CSID:8095448, http://www.chemspider.com/Chemical-Structure.8095448.html (accessed 00:05, Jul 4, 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