Try beta.chemspider
- 7 of 7 defined stereocentres
(2'beta,5'alpha,10alpha)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
C[C@]1(C(=O)N2[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4[C@]2(O)O1)N=C([C@@H]5C[C@@H]6C7=C8C(=CNC8=CC=C7)C[C@H]6N(C)C5)O C[C@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C
InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32+,33+/m1/s1
LUZRJRNZXALNLM-AOHOTNFNSA-N
CSID:58783895, http://www.chemspider.com/Chemical-Structure.58783895.html (accessed 13:40, Apr 26, 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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