| SpectraBase Spectrum ID |
HrhyGHTLaFf |
| Name |
Melcanthin D |
| Alternate Name(s) |
Methyl (3aS,4S,5R,11aR)-5-(acetyloxy)-10-(hydroxymethyl)-4-(methacryloyloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate |
| CAS Registry Number |
79405-87-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O9 |
| InChI |
InChI=1S/C22H26O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8-9,16-19,23H,1,3,6-7,10H2,2,4-5H3/b14-9+,15-8+/t16-,17+,18-,19+/m1/s1 |
| InChIKey |
HRJBNNMVNJWIPJ-PZIPYVHHSA-N |
| Molecular Weight |
434.441 g/mol |
| SMILES |
OC\C1=C\[C@@]2([C@@]([C@@]([C@@](\C(C(=O)OC)=C/CC1)(OC(=O)C)[H])(OC(C(=C)C)=O)[H])(C(C(=O)O2)=C)[H])[H] |
| SPLASH |
splash10-014i-9220000000-d08abfbc33f26ae731f6 |
| Source of Spectrum |
W5-1989-12432-1 |
| Wiley ID |
1382898 |
