Try beta.chemspider
- 10 of 10 defined stereocentres
(3beta,21alpha,22beta)-3,21-Dihydroxy-22-[(3-methyl-2-butenoyl)oxy]-3,25-epoxyolean-12-en-28-oic acid
O=C(O[C@@H]6[C@@H](O)C(C)(C)C[C@H]5/C4=C/C[C@@H]3[C@@]21CC[C@@](O)(OC1)C([C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@]56C(=O)O)(C)C)\C=C(/C)C
InChI=1S/C35H52O7/c1-20(2)17-25(36)42-27-26(37)29(3,4)18-22-21-9-10-24-32(8,31(21,7)13-15-34(22,27)28(38)39)12-11-23-30(5,6)35(40)16-14-33(23,24)19-41-35/h9,17,22-24,26-27,37,40H,10-16,18-19H2,1-8H3,(H,38,39)/t22-,23-,24-,26+,27+,31+,32+,33+,34-,35+/m0/s1
KPSMFSYYZXYOOL-DCKBILQHSA-N
CSID:8968747, http://www.chemspider.com/Chemical-Structure.8968747.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
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