Try beta.chemspider
- Double-bond stereo
- 14 of 14 defined stereocentres
1-O-{[(1S,4aS,6S,7S,7aS)-6-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]carbonyl}-D-mannitol
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@]2([H])C[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](C)[C@@]12[H] C[C@@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/c4ccc(c(c4)O)O
InChI=1S/C31H42O18/c1-12-20(47-22(38)5-3-13-2-4-16(34)17(35)6-13)7-14-15(29(44)45-11-19(37)25(40)24(39)18(36)8-32)10-46-30(23(12)14)49-31-28(43)27(42)26(41)21(9-33)48-31/h2-6,10,12,14,18-21,23-28,30-37,39-43H,7-9,11H2,1H3/b5-3+/t12-,14-,18-,19-,20+,21-,23-,24-,25-,26-,27+,28-,30+,31+/m1/s1
ZQSZAICEWGUNLB-JVPRIAKJSA-N
CSID:35518313, http://www.chemspider.com/Chemical-Structure.35518313.html (accessed 03:26, Jul 5, 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
Advertisement
Spotlight