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- 7 of 7 defined stereocentres
(5'alpha,10alpha)-5'-Benzyl-12'-hydroxy-3',6',18-trioxo-2'-propyl-9,10-dihydroergotaman methanesulfonate (1:1)
CCC[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.CS(=O)(=O)O
InChI=1S/C35H41N5O5.CH4O3S/c1-3-14-34(37-31(41)23-17-25-24-11-7-12-26-30(24)22(19-36-26)18-27(25)38(2)20-23)33(43)40-28(16-21-9-5-4-6-10-21)32(42)39-15-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,19,23,25,27-29,36,44H,3,8,13-18,20H2,1-2H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
RTGJWLCUQHMLOZ-SPZWACKZSA-N
CSID:102961, http://www.chemspider.com/Chemical-Structure.102961.html (accessed 04:16, Apr 27, 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
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