Try beta.chemspider
- 6 of 6 defined stereocentres
(2'beta,5'alpha,12'beta)-12'-Hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman
C[C@]1(NC(=O)[C@H]2CN(C)[C@@H]3CC4=CNC5=CC=CC(=C45)C3=C2)O[C@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N2C1=O
InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29+,30-/m1/s1
NESVMZOPWPCFAU-ZXHGGNONSA-N
CSID:110805745, http://www.chemspider.com/Chemical-Structure.110805745.html (accessed 16:23, Apr 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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