| SpectraBase Spectrum ID |
3Mm336PE9ke |
| Name |
Gyroxanthin triacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H60O8 |
| InChI |
InChI=1S/C46H60O8/c1-32(19-15-20-34(3)23-24-41-42(7,8)27-39(52-36(5)48)29-44(41,11)50)17-13-14-18-33(2)21-16-22-38(31-51-35(4)47)25-26-46-43(9,10)28-40(53-37(6)49)30-45(46,12)54-46/h13-23,39-40,50H,27-31H2,1-12H3/b14-13+,19-15+,21-16+,32-17+,33-18+,34-20+,38-22-/t24?,39-,40-,44+,45+,46-/m0/s1 |
| InChIKey |
BRTQHOMUHWAQST-PAOYPGCXSA-N |
| Molecular Weight |
740.978 g/mol |
| SMILES |
O[C@]1(C(=C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C#C[C@]23[C@](C[C@](CC3(C)C)(OC(=O)C)[H])(C)O2)COC(=O)C)C)C)C)C(C[C@](OC(=O)C)(C1)[H])(C)C)C |
| SPLASH |
splash10-000j-0690003200-f7d87d8271d3721332e9 |
| Source of Spectrum |
F-56-9054-17 |
| Synonyms |
(1R,3S,6R)-6-{(3Z,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-[(acetyloxy)methyl]-7,12,16-trimethyl-3,5,7,9,11,13,15,17-octadecaoctaen-1-ynyl}-1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-3-yl acetate |
| Wiley ID |
859224 |
