| SpectraBase Spectrum ID |
KTABp8MvSdR |
| Name |
2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-10-[(acetyloxy)methyl]-2,3,3A,4,5,6,7,8,9,11A-decahydro-7-methyl-3-methylene-2,6-dioxocyclodeca[B]furan-4-yl ester, [3ar-[3ar*,4R*(Z),7R*,9S*,10Z,11AR*]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.188982537 u |
| Formula |
C24H30O9 |
| InChI |
InChI=1S/C24H30O9/c1-7-12(2)23(28)32-21-10-18(27)13(3)8-19(31-16(6)26)17(11-30-15(5)25)9-20-22(21)14(4)24(29)33-20/h7,9,13,19-22H,4,8,10-11H2,1-3,5-6H3/b12-7-,17-9-/t13-,19+,20-,21-,22+/m1/s1 |
| InChIKey |
MNYIONMVAJDZKD-FXBOJGCRSA-N |
| Molecular Weight |
462.495 g/mol |
| SMILES |
C1(C([C@@]2([C@@](CC([C@](C)(C[C@@](\C(=C/[C@]2(O1)[H])COC(=O)C)(OC(=O)C)[H])[H])=O)(OC(\C(=C/C)C)=O)[H])[H])=C)=O |
![2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-10-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,11a-decahydro-7-methyl-3-methylene-2,6-dioxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),7R*,9S*,10Z,11aR*]]-](/api/spectrum/KTABp8MvSdR/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-10-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,11a-decahydro-7-methyl-3-methylene-2,6-dioxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),7R*,9S*,10Z,11aR*]]-")
