Try beta.chemspider
- 10 of 15 defined stereocentres
(2beta,5xi,9xi,14xi,18xi)-3-(beta-D-Allopyranosyloxy)-2,27-dihydroxyolean-12-ene-23,28-dioic acid
C[C@@]12CCC3[C@@](C1CC=C4C2(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)CO)(C[C@@H](C([C@@]3(C)C(=O)O)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)C
InChI=1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19?,20-,21+,22?,23?,24+,25+,26+,27?,28-,32+,33+,34-,35-,36?/m0/s1
DBJLNNAUDGIUAE-ZGRCWTRLSA-N
CSID:4885272, http://www.chemspider.com/Chemical-Structure.4885272.html (accessed 12:15, May 9, 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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