Try beta.chemspider
- 6 of 6 defined stereocentres
(2'beta,5'alpha,8alpha,11'alpha,12'beta)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman
O=C3N1CCC[C@@H]1[C@@]2(O)O[C@@](C(=O)N2[C@H]3CC(C)C)(NC(=O)[C@H]7/C=C6/c4cccc5c4c(cn5)C[C@H]6N(C)C7)C(C)C
InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26+,31-,32+/m0/s1
YDOTUXAWKBPQJW-LIBBDFNDSA-N
CSID:5422618, http://www.chemspider.com/Chemical-Structure.5422618.html (accessed 23:21, Apr 23, 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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