| SpectraBase Spectrum ID |
2g9NrYB6MmL |
| Name |
Repandin A |
| Alternate Name(s) |
methyl (3aS,4S,5S,11R,11aS)-11-hydroxy-4-{[(2E)-2-(hydroxymethyl)-2-butenoyl]oxy}-5-(isobutyryloxy)-3,10-dimethylene-2-oxo-2,3,3a,4,5,8,9,10,11,11a-decahydrocyclodeca[b]furan-6-carboxylate |
| CAS Registry Number |
71155-66-3 |
| Comments |
Removed - expert review: contamination (acetone)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O10 |
| InChI |
InChI=1S/C25H32O10/c1-7-15(11-26)24(30)35-21-17-14(5)23(29)34-20(17)18(27)13(4)9-8-10-16(25(31)32-6)19(21)33-22(28)12(2)3/h7,10,12,17-21,26-27H,4-5,8-9,11H2,1-3,6H3/b15-7+,16-10+/t17-,18+,19-,20-,21-/m0/s1 |
| InChIKey |
MCMVELHRFXLYOT-HPLYOKSTSA-N |
| Molecular Weight |
492.521 g/mol |
| SMILES |
O[C@@]1(C(CC\C=C/([C@@]([C@@](OC(\C(CO)=C/C)=O)([C@@]2([C@@]1(OC(C2=C)=O)[H])[H])[H])(OC(=O)C(C)C)[H])C(=O)OC)=C)[H] |
| SPLASH |
splash10-0006-9000000000-c8211b45ad2d48d0a403 |
| Source of Spectrum |
J-44-3403-0 |
| Wiley ID |
1397516 |
