- 6 of 8 defined stereocentres
(5'alpha)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
C[C@@]1(C(=O)N2[C@H](C(=O)N3[C@H]([C@@]2(O1)O)CCC3O)Cc4ccccc4)NC(=O)[C@@H]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C
InChI=1S/C33H37N5O6/c1-32(35-29(40)20-14-22-21-9-6-10-23-28(21)19(16-34-23)15-24(22)36(2)17-20)31(42)38-25(13-18-7-4-3-5-8-18)30(41)37-26(11-12-27(37)39)33(38,43)44-32/h3-10,16,20,22,24-27,34,39,43H,11-15,17H2,1-2H3,(H,35,40)/t20-,22?,24-,25+,26+,27?,32-,33+/m1/s1
AHRNWGXNCFKOII-UYPVSMPXSA-N
CSID:128980, http://www.chemspider.com/Chemical-Structure.128980.html (accessed 10:13, Dec 6, 2023)
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