| SpectraBase Spectrum ID |
2sVr4MxaPc3 |
| Name |
Melcanthin C |
| CAS Registry Number |
68024-39-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O10 |
| InChI |
InChI=1S/C22H28O10/c1-10(2)20(26)32-19-17-11(3)21(27)31-16(17)7-13(9-23)6-14(25)8-15(22(28)29-5)18(19)30-12(4)24/h7-8,10,14,16-19,23,25H,3,6,9H2,1-2,4-5H3/b13-7+,15-8+/t14-,16-,17+,18-,19+/m1/s1 |
| InChIKey |
ITNBCDHJIVJLJO-GQXXUDLMSA-N |
| Molecular Weight |
452.456 g/mol |
| SMILES |
O[C@]1(\C=C/([C@]([C@]([C@@]2([C@@](\C=C\(CO)C1)(OC(C2=C)=O)[H])[H])(OC(=O)C(C)C)[H])(OC(=O)C)[H])C(=O)OC)[H] |
| SPLASH |
splash10-006x-9000000000-13ff3dacb3f108297a5f |
| Source of Spectrum |
J-43-4987-0 |
| Synonyms |
Methyl (3aS,4S,5R,8R,11aR)-5-(acetyloxy)-8-hydroxy-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate |
| Wiley ID |
1388191 |
