Try beta.chemspider
- Double-bond stereo
- 37 of 37 defined stereocentres
(1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,34S,35R,37S,39R,41S)-25-[(2,3-Di-O-methyl-beta-L-lyxopyranosyl)oxy]-13,15,35,37-tetrahydroxy-11,33-bis{(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4 -methoxy-6-methyltetrahydro-2H-pyran-2-yl]-4-methyl-2-hexanyl}-17,39-dimethoxy-6,12,16,28,34-pentamethyl-9,31-dioxo-10,32,45,46-tetraoxatricyclo[39.3.1.1~19,23~]hexatetraconta-5,7,21,27,29,43-hexaen-3 -yl 2,3-di-O-methyl-beta-L-lyxopyranoside
CO[C@H]1[C@@H](OC)[C@H](OC[C@@H]1O)O[C@@H]2C[C@@H]7/C=C\C[C@@H](C[C@H](OC)C[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C=CC(\C)=C\C[C@@H](C[C@@H]4/C=C\C[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C=CC(\C)=C\C2)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@@H](C[C@H](C)O3)OC)O4)O[C@H]5OC[C@H](O)[C@@H](OC)[C@H]5OC)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]6C[C@H](OC)C[C@H](C)O6)O7
InChI=1S/C91H154O28/c1-51-26-32-69(116-90-88(108-18)86(106-16)77(96)49-110-90)42-63-22-20-24-65(114-63)44-73(104-14)40-62(92)41-74(93)58(8)84(60(10)82(100)53(3)30-34-67-45-71(102-12)38-55(5)112-67)118-80(98)36-28-52(2)27-33-70(117-91-89(109-19)87(107-17)78(97)50-111-91)43-64-23-21-25-66(115-64)47-79(105-15)57(7)75(94)48-76(95)59(9)85(119-81(99)37-29-51)61(11)83(101)54(4)31-35-68-46-72(103-13)39-56(6)113-68/h20-23,26-29,36-37,53-79,82-97,100-101H,24-25,30-35,38-50H2,1-19H3/b36-28+,37-29+,51-26+,52-27+/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72+,73+,74+,75-,76+,77-,78-,79-,82-,83-,84-,85-,86+,87+,88+,89+,90+,91+/m0/s1
KMBIYPMGRFQUNL-FOFPSAIHSA-N
CSID:10480582, http://www.chemspider.com/Chemical-Structure.10480582.html (accessed 04:00, 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
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