| SpectraBase Spectrum ID |
B46VmWCDWNM |
| Name |
Obacunone |
| Alternate Name(s) |
(1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-1-(furan-3-yl)-4b,7,7,11a,13a-pentamethyl-1,6a,7,11a,11b,12,13,13a-octahydrooxepino[4',3':3,4]benzo[1,2-f]oxireno[2,3-d]isochromene-3,5,9(3aH,4bH,6H)-trione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O7 |
| InChI |
InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1 |
| InChIKey |
MAYJEFRPIKEYBL-OASIGRBWSA-N |
| Literature Reference DOI |
10.1002/rcm.1218 |
| Molecular Weight |
454.519 g/mol |
| SMILES |
C[C@@]12C=CC(=O)OC(C)(C)[C@]2([H])CC(=O)[C@@]2(C)[C@]34O[C@]4([H])C(=O)O[C@@](c4cocc4)([C@]3(C)CC[C@]12[H])[H] |
| SPLASH |
splash10-001j-9606100000-6be22614af71f5a0f887 |
| Source of Spectrum |
RCM-17-2519-Obacunone |
| Wiley ID |
1819929 |
