Try beta.chemspider
- 12 of 12 defined stereocentres
(2beta,5beta,9beta,10alpha,13alpha,15beta)-15-Hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-beta-D-altropyranosyl]oxy}kaur-16-ene-18,19-dioic acid
C[C@@]12C[C@@H](CC([C@H]1CC[C@]13C[C@@H](CC[C@@H]21)C(=C)[C@H]3O)(C(O)=O)C(O)=O)O[C@@H]1O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OC(=O)CC(C)C
InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23-,24+,25-,26-,29+,30+/m1/s1
AQFATIOBERWBDY-JBAONQBRSA-N
CSID:82827430, http://www.chemspider.com/Chemical-Structure.82827430.html (accessed 21:42, May 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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