Try beta.chemspider
- 5 of 6 defined stereocentres
- Non-standard isotope
(5'alpha,12'xi)-2-Bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo(17,17,17-~2~H_3_)ergotaman
[2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1CC1=C(Br)NC3C=CC=C2C=31)C(=O)N[C@@]1(OC2(O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N2C1=O)C(C)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?/m1/s1/i5D3
OZVBMTJYIDMWIL-UPJKAPGFSA-N
CSID:114392942, http://www.chemspider.com/Chemical-Structure.114392942.html (accessed 12:06, May 6, 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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