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- 10 of 10 defined stereocentres
(3beta)-3-Allyl-3-hydroxylup-20(29)-en-28-oic acid hydrate (1:1)
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)(CC=C)O)C)C(=O)O.O
InChI=1S/C33H52O3.H2O/c1-9-14-33(36)20-17-29(6)24(28(33,4)5)13-15-31(8)25(29)11-10-23-26-22(21(2)3)12-16-32(26,27(34)35)19-18-30(23,31)7;/h9,22-26,36H,1-2,10-20H2,3-8H3,(H,34,35);1H2/t22-,23+,24-,25+,26+,29-,30+,31+,32-,33-;/m0./s1
JMELBGCTIDKOPM-RQBNYOBGSA-N
CSID:49072857, http://www.chemspider.com/Chemical-Structure.49072857.html (accessed 03:25, Jun 1, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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