Try beta.chemspider
- Double-bond stereo
- 25 of 26 defined stereocentres
(3E,7S,8S,11E,13E,15S,16S)-8,16-bis[(1S,2R,3S)-3-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-2-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
C[C@H]1C=CC=CC(=O)O[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](CC)[C@@H](C)O2)[C@@H](C)C=CC=CC(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1 |t:4,40,42|
InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16?,21-18+,22-17+/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,45-,46-,47+,48+,49+,50+,51?,52-,53+,54+/m0/s1
OSERMIPXNLXAPD-JZRDHDEFSA-N
CSID:110417912, http://www.chemspider.com/Chemical-Structure.110417912.html (accessed 04:41, May 29, 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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