- 6 of 7 defined stereocentres
(5'alpha)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman
CN2C[C@@H](CC1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78)C(C)C
InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25?,27-,28+,29+,34-,35+/m1/s1
DEQITUUQPICUMR-DLVWBKJWSA-N
CSID:9247295, http://www.chemspider.com/Chemical-Structure.9247295.html (accessed 16:22, Dec 1, 2023)
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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