Try beta.chemspider
- 6 of 6 defined stereocentres
- Non-standard isotope
(5'alpha)-12'-Hydroxy-5'-isopropyl-2'-methyl-3',6',18-trioxo(17,17,17-~2~H_3_)ergotaman
CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](C)(N=C([C@@H]4C=C5C6=C7C(=CNC7=CC=C6)C[C@H]5N(C([2H])([2H])[2H])C4)O)O3)O [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)C(C)C)C
InChI=1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1/i4D3
BGHDUTQZGWOQIA-HETQEOSFSA-N
CSID:58784364, http://www.chemspider.com/Chemical-Structure.58784364.html (accessed 20:09, May 5, 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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