| SpectraBase Spectrum ID |
2tliJ9t5ay |
| Name |
Villalstonine |
| Alternate Name(s) |
Methyl (27Z)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetraazaundecacyclo[23.11.2.1(6,17).1(24,28).0(1,23).0(3,21).0(4,18).0(7,15).0(9,14).0(23,30).0(31,36)]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate
Villalstonine |
| CAS Registry Number |
2723-56-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H48N4O4 |
| InChI |
InChI=1S/C41H48N4O4/c1-6-22-19-44-34-17-24(22)36(37(46)47-5)45-31-14-10-8-12-28(31)39-18-29-25-15-33-35-26(23-11-7-9-13-30(23)43(35)4)16-32(42(33)3)27(25)20-48-38(29,2)40(44,21-39)49-41(34,39)45/h6-14,24-27,29,32-36H,15-21H2,1-5H3/b22-6-/t24-,25-,26?,27-,29?,32+,33+,34?,35?,36-,38-,39-,40-,41+/m1/s1 |
| InChIKey |
LTHLAFWBMVXAGI-ILLQAFPYSA-N |
| Molecular Weight |
660.859 g/mol |
| SMILES |
[C@]123N4[C@](C(=O)OC)([H])[C@@]5(CC3N(C\C5=C/C)[C@]3(O1)[C@@]1(OC[C@]5([C@@]6(CC7C(N(c8ccccc78)C)[C@@](N6C)(C[C@]5(C1C[C@@]2(C3)c1ccccc41)[H])[H])[H])[H])C)[H] |
| SPLASH |
splash10-00dr-0933001000-6624535fc4a0a15df0d8 |
| Source of Spectrum |
H-48-701-5 |
| Wiley ID |
65965 |
