Try beta.chemspider
- Double-bond stereo
- 19 of 19 defined stereocentres
S-[(2R,3S,4R,6S)-6-({[(2R,3S,4S,5R,6R)-5-{[(2S,4S,5S)-5-(Ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-{[(2S,5Z,9S,13E)-9-hydroxy-12-[(methoxycarbonyl)amino]-13-[2-(methyltrisulfanyl) ethylidene]-11-oxobicyclo[7.3.1]trideca-1(12),5-diene-3,7-diyn-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]amino}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl] 4-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-me thoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-iodo-5,6-dimethoxy-2-methylbenzenecarbothioate (non-preferred name)
CC1C(I)=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2O)C(OC)=C(OC)C=1C(=O)S[C@H]1[C@H](O)C[C@H](ON[C@H]2[C@H](O)[C@@H](O[C@H]3C[C@H](OC)[C@H](CO3)NCC)[C@H](O[C@H]3C#CC=CC#C[C@@]4(O)CC(=O)C(NC(=O)OC)=C3/C/4=C\CSSSC)O[C@@H]2C)O[C@@H]1C |c:58|
InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26-,27+,28-,30+,31-,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55-/m1/s1
HXCHCVDVKSCDHU-JFFCTLQVSA-N
CSID:78431962, http://www.chemspider.com/Chemical-Structure.78431962.html (accessed 18:30, May 16, 2024)
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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