- 6 of 6 defined stereocentres
(5'alpha)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-2-methyl-3',6',18-trioxoergotaman
Cc1c2c3c(cccc3[nH]1)C4=C[C@H](CN([C@@H]4C2)C)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC(C)C)C(C)C
InChI=1S/C33H43N5O5/c1-17(2)13-26-30(40)37-12-8-11-27(37)33(42)38(26)31(41)32(43-33,18(3)4)35-29(39)20-14-23-21-9-7-10-24-28(21)22(19(5)34-24)15-25(23)36(6)16-20/h7,9-10,14,17-18,20,25-27,34,42H,8,11-13,15-16H2,1-6H3,(H,35,39)/t20-,25-,26+,27+,32-,33+/m1/s1
AFFLEALSHYGOOD-NOURLPFCSA-N
CSID:49488, http://www.chemspider.com/Chemical-Structure.49488.html (accessed 08:54, Mar 29, 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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