- 6 of 7 defined stereocentres
(2'xi,5'beta,10alpha)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (1:1)
CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3C=CC=C2C1=3)C(=O)NC1(O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](CC3C=CC=CC=3)N2C1=O)C(C)C.CS(O)(=O)=O
InChI=1S/C35H41N5O5.CH4O3S/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;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28-,29+,34?,35+;/m1./s1
SPXACGZWWVIDGR-KPJWEYNESA-N
CSID:77498382, http://www.chemspider.com/Chemical-Structure.77498382.html (accessed 20:44, Apr 19, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
Advertisement
Spotlight