Try beta.chemspider
- Double-bond stereo
- 23 of 24 defined stereocentres
(3beta,5xi,16beta,22alpha)-16,22-Dihydroxy-3-{[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}olean-12-en-28-yl (2E)-2-methyl-2-butenoate
O=C(OC[C@@]82[C@H](/C1=C/C[C@H]7[C@](C)([C@]1(C)C[C@@H]2O)CCC6[C@]7(C)CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C6(C)C)CC(C)(C)C[C@@H]8O)/C(=C/C)C
InChI=1S/C52H84O19/c1-10-24(2)43(64)68-23-52-26(17-47(3,4)18-32(52)54)25-11-12-31-49(7)15-14-34(48(5,6)30(49)13-16-50(31,8)51(25,9)19-33(52)55)71-46-42(63)39(60)37(58)29(70-46)22-67-45-41(62)38(59)36(57)28(69-45)21-66-44-40(61)35(56)27(53)20-65-44/h10-11,26-42,44-46,53-63H,12-23H2,1-9H3/b24-10+/t26-,27+,28+,29+,30?,31+,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,44-,45+,46-,49-,50+,51+,52+/m0/s1
MGAJXGNWINYKFU-DMRWCZEKSA-N
CSID:8852856, http://www.chemspider.com/Chemical-Structure.8852856.html (accessed 13:21, Jul 6, 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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