- 7 of 7 defined stereocentres
(5'alpha,10alpha)-2'-Ethyl-12'-hydroxy-5'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman
CC[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)C(C)C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C
InChI=1S/C30H39N5O5/c1-5-29(28(38)35-25(16(2)3)27(37)34-11-7-10-23(34)30(35,39)40-29)32-26(36)18-12-20-19-8-6-9-21-24(19)17(14-31-21)13-22(20)33(4)15-18/h6,8-9,14,16,18,20,22-23,25,31,39H,5,7,10-13,15H2,1-4H3,(H,32,36)/t18-,20-,22-,23+,25+,29-,30+/m1/s1
QKMRPKVJXKAXHL-OLNIQZLRSA-N
CSID:167663, http://www.chemspider.com/Chemical-Structure.167663.html (accessed 21:55, Mar 28, 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
Advertisement
Spotlight