- 6 of 6 defined stereocentres
(5'beta,12'beta)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman
CN1C[C@@H](C=C2[C@H]1CC1=CNC3C=CC=C2C1=3)C(=O)N[C@@]1(O[C@]2(O)[C@@H]3CCCN3C(=O)[C@@H](CC3C=CC=CC=3)N2C1=O)C(C)C
InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,34-,35-/m1/s1
HEFIYUQVAZFDEE-GUEALPKGSA-N
CSID:78315469, http://www.chemspider.com/Chemical-Structure.78315469.html (accessed 10:19, Mar 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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