| SpectraBase Spectrum ID |
IiysR9hbs86 |
| Name |
2-Butenoic acid, 4-(acetyloxy)-2-[(acetyloxy)methyl]-, 2,3,3A,4,5,7,9A,9B-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-B]furan -4-yl ester, [3R-[3.alpha.,3A.beta.,4.alpha.(Z),9A.beta.,9B.alpha.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.194067918 u |
| Formula |
C24H30O8 |
| InChI |
InChI=1S/C24H30O8/c1-12-6-7-18-13(2)10-19(21-14(3)23(27)32-22(21)20(12)18)31-24(28)17(11-30-16(5)26)8-9-29-15(4)25/h6,8,14,19-22H,7,9-11H2,1-5H3/b17-8-/t14-,19+,20-,21+,22+/m1/s1 |
| InChIKey |
VGFDHFJFOOQRJS-UZNSYFAYSA-N |
| Molecular Weight |
446.496 g/mol |
| SMILES |
[C@@]12(OC(=O)[C@@]([C@]2([C@@](OC(\C(COC(=O)C)=C/COC(=O)C)=O)(CC(=C2[C@]1(C(=CC2)C)[H])C)[H])[H])(C)[H])[H] |
![2-Butenoic acid, 4-(acetyloxy)-2-[(acetyloxy)methyl]-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan -4-yl ester, [3R-[3.alpha.,3a.beta.,4.alpha.(Z),9a.beta.,9b.alpha.]]-](/api/spectrum/IiysR9hbs86/structure.png?h=300&w=458 "2-Butenoic acid, 4-(acetyloxy)-2-[(acetyloxy)methyl]-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan -4-yl ester, [3R-[3.alpha.,3a.beta.,4.alpha.(Z),9a.beta.,9b.alpha.]]-")
