Try beta.chemspider
- 6 of 6 defined stereocentres
(2'beta,5alpha,5'beta,8alpha,11'alpha,12'beta)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
C[C@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5CN([C@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
InChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m0/s1
XCGSFFUVFURLIX-KDCVLLGJSA-N
CSID:26371837, http://www.chemspider.com/Chemical-Structure.26371837.html (accessed 12:51, Apr 25, 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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