- 12 of 12 defined stereocentres
(1R,4R,7R,9R,10R,13R,15S)-7-{[(2S,3R,4R,5S,6S)-6-(Hydroperoxymethyl)-3-[(3-methylbutanoyl)oxy]-4,5-bis(sulfooxy)tetrahydro-2H-pyran-2-yl]oxy}-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~. 0~4,9~]hexadecane-5,5-dicarboxylic acid
CC(C)CC(=O)O[C@@H]1[C@H]([C@H]([C@@H](O[C@@H]1O[C@@H]2C[C@@]3([C@H]4CC[C@@H]5C[C@@]4(CC[C@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)COO)OS(=O)(=O)O)OS(=O)(=O)O
InChI=1S/C31H46O19S2/c1-14(2)9-21(32)48-24-23(50-52(42,43)44)22(49-51(39,40)41)18(13-45-38)47-26(24)46-17-11-29(4)19-6-5-16-10-30(19,25(33)15(16)3)8-7-20(29)31(12-17,27(34)35)28(36)37/h14,16-20,22-26,33,38H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37)(H,39,40,41)(H,42,43,44)/t16-,17-,18+,19-,20-,22+,23+,24-,25+,26+,29-,30-/m1/s1
CYBVQIBJEFQVPD-GWDNDVLHSA-N
CSID:26329724, http://www.chemspider.com/Chemical-Structure.26329724.html (accessed 01:30, Apr 20, 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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