Try beta.chemspider
- 12 of 13 defined stereocentres
(1R,4R,5R,7R,9R,10S,15S)-15-Hydroxy-9-methyl-7-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-alpha-D-glucopyranosyl]oxy}-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid
CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45CC(CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O
InChI=1S/C30H46O16S2/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41)/t16?,17-,18-,19-,20-,21+,23-,24+,25-,26+,28+,29-,30-/m1/s1
FYQXODZRNSCOTR-QXRRXILKSA-N
CSID:31105976, http://www.chemspider.com/Chemical-Structure.31105976.html (accessed 09:43, May 4, 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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