Try beta.chemspider
- Double-bond stereo
- 36 of 36 defined stereocentres
(1R,3S,5E,7E,11S,12S,13R,15S,17R,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-met hoxy-6-methyltetrahydro-2H-pyran-2-yl]-4-methyl-2-hexanyl}-17,39-dimethoxy-6,12,28,34-tetramethyl-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[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/C90H152O28/c1-51-25-31-69(115-89-87(107-17)85(105-15)77(95)49-109-89)43-63-21-19-23-65(113-63)45-73(103-13)40-62(92)42-76(94)58(8)84(60(10)82(100)54(4)30-34-68-48-72(102-12)38-56(6)112-68)118-80(98)36-28-52(2)26-32-70(116-90-88(108-18)86(106-16)78(96)50-110-90)44-64-22-20-24-66(114-64)46-74(104-14)39-61(91)41-75(93)57(7)83(117-79(97)35-27-51)59(9)81(99)53(3)29-33-67-47-71(101-11)37-55(5)111-67/h19-22,25-28,35-36,53-78,81-96,99-100H,23-24,29-34,37-50H2,1-18H3/b35-27+,36-28+,51-25+,52-26+/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-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+/m0/s1
PMOHGLKKBUNONX-GIVVBTCJSA-N
CSID:10480581, http://www.chemspider.com/Chemical-Structure.10480581.html (accessed 03:33, 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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