Try beta.chemspider
- 6 of 6 defined stereocentres
- Non-standard isotope
(5alpha,5'alpha,8alpha)-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]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC(C)C)C(C)C
InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1/i5D3
YDOTUXAWKBPQJW-BHOVJBOMSA-N
CSID:48061403, http://www.chemspider.com/Chemical-Structure.48061403.html (accessed 15:00, 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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