SpectraBase Spectrum ID |
8krjilKGj83 |
Name |
N-[15-ent-Halima-1(10),13E-dienyl]-N-methoxy-9-methyl-9H-purin-6-amine |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
451.331110959 u |
Formula |
C27H41N5O |
InChI |
InChI=1S/C27H41N5O/c1-19(13-16-32(33-7)25-23-24(28-17-29-25)31(6)18-30-23)12-15-27(5)20(2)10-11-21-22(27)9-8-14-26(21,3)4/h9,13,17-18,20-21H,8,10-12,14-16H2,1-7H3/b19-13+/t20-,21+,27+/m1/s1 |
InChIKey |
DCMWZAJLJOIYEV-XTBWPWFWSA-N |
Molecular Weight |
451.659 g/mol |
SMILES |
C1=2N=CN(C2N=CN=C1N(C\C=C\(CC[C@@]1(C=2[C@](C(C)(C)CCC2)([H])CC[C@]1(C)[H])C)C)OC)C |