Try beta.chemspider
- Double-bond stereo
- 24 of 28 defined stereocentres
(1R,12S,13R,14S,18E,21S,23S,24R,25R,27R)-1,14-Dihydroxy-17-{(2E)-4-[(12S,13R,14S,17R,18E,21S,23S,24R,25R,27R)-14-hydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dime thoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacos-18-en-17-yl]-2-buten-1-yl}-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-d imethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacos-18-ene-2,3,10,16-tetrone
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H](C(O2)C(=O)C(=O)N3CCCCC3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)C/C=C/CC4/C=C(/C[C@@H](C[C@@H]([C@@H]5[C@@H](C[C@H]([C@@](O5)(C(=O)C(=O)N6CCCCC6C(=O)O[C@@H]([C@@H]([C@H](CC4=O)O)C)/C(=C/[C@@H]7CC[C@H]([C@@H](C7)OC)O)/C)O)C)OC)OC)C)\C)O)C)/C(=C/[C@@H]8CC[C@H]([C@@H](C8)OC)O)/C)C)OC)OC
InChI=1S/C86H134N2O23/c1-47-33-49(3)37-71(104-13)79-73(106-15)41-53(7)78(108-79)75(95)82(97)87-31-21-19-25-61(87)84(99)109-76(51(5)39-57-27-29-63(89)69(43-57)102-11)55(9)65(91)45-67(93)59(35-47)23-17-18-24-60-36-48(2)34-50(4)38-72(105-14)80-74(107-16)42-54(8)86(101,111-80)81(96)83(98)88-32-22-20-26-62(88)85(100)110-77(56(10)66(92)46-68(60)94)52(6)40-58-28-30-64(90)70(44-58)103-12/h17-18,35-36,39-40,49-50,53-66,69-74,76-80,89-92,101H,19-34,37-38,41-46H2,1-16H3/b18-17+,47-35+,48-36+,51-39+,52-40+/t49-,50-,53+,54+,55+,56+,57-,58-,59+,60?,61?,62?,63+,64+,65-,66-,69+,70+,71-,72-,73+,74+,76+,77+,78?,79+,80+,86+/m0/s1
IOISFHIZCFPBTB-HSZXOJBTSA-N
CSID:23193198, http://www.chemspider.com/Chemical-Structure.23193198.html (accessed 20:56, Apr 23, 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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