Try beta.chemspider
- 1 of 6 defined stereocentres
(2'beta,5xi,8xi,11'xi,12'xi)-2-Bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman
C[C@@H]([C@@]1(OC2(N(C1=O)C(C(=O)N3C2CCC3)CC(C)C)O)NC(=O)C4C=C5C(N(C4)C)Cc6c([nH]c7c6c5ccc7)Br)C
InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18?,23?,24?,25?,31-,32?/m0/s1
OZVBMTJYIDMWIL-MTZFOJRRSA-N
CSID:26382225, http://www.chemspider.com/Chemical-Structure.26382225.html (accessed 15:28, 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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