Try beta.chemspider
- Double-bond stereo
- 10 of 10 defined stereocentres
(3beta,21alpha,22beta)-3,21-Dihydroxy-22-{[(2Z)-2-methyl-2-butenoyl]oxy}-3,25-epoxyolean-12-en-28-oic acid
C/C=C(\C(=O)O[C@H]1[C@]2([C@H](C3=CC[C@@H]4[C@@]56[C@H]([C@@]([C@@](OC5)(CC6)O)(C)C)CC[C@]4([C@@]3(CC2)C)C)C[C@@]([C@@H]1O)(C)C)C(=O)O)/C
InChI=1S/C35H52O7/c1-9-20(2)27(37)42-26-25(36)29(3,4)18-22-21-10-11-24-32(8,31(21,7)14-16-34(22,26)28(38)39)13-12-23-30(5,6)35(40)17-15-33(23,24)19-41-35/h9-10,22-26,36,40H,11-19H2,1-8H3,(H,38,39)/b20-9-/t22-,23-,24-,25+,26+,31+,32+,33+,34-,35-/m0/s1
CTQRAHWNNVEBTE-SJKNEWIFSA-N
CSID:10214159, http://www.chemspider.com/Chemical-Structure.10214159.html (accessed 11:19, Jul 7, 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