| SpectraBase Spectrum ID |
HX2pFoQT0iE |
| Name |
1H-2-Benzopyran-1-acetic acid, 3-(2,5-dihydro-2-methyl-5-oxo-2-furanyl)-3,4,4a,7,8,8a-hexahydro-7-hydroxy-5-methyl-8-(1-methylethyl)-, methyl ester, [1.alpha.,3.alpha.(R*),4a.alpha.,7.beta.,8.alpha.,8a.alpha.]- |
| CAS Registry Number |
122052-99-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O6 |
| InChI |
InChI=1S/C21H30O6/c1-11(2)19-14(22)8-12(3)13-9-16(21(4)7-6-17(23)27-21)26-15(20(13)19)10-18(24)25-5/h6-8,11,13-16,19-20,22H,9-10H2,1-5H3/t13-,14+,15-,16-,19-,20+,21-/m1/s1 |
| InChIKey |
GZYDMOFXJRPSAT-AKJVRHOISA-N |
| Molecular Weight |
378.465 g/mol |
| SMILES |
O[C@]1(C=C([C@@]2([C@@]([C@@](CC(=O)OC)(O[C@@]([C@@]3(OC(=O)C=C3)C)(C2)[H])[H])([C@@]1(C(C)C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-00kp-2900000000-59e14a3d8441e8119f32 |
| Source of Spectrum |
H-71-974-11 |
| Synonyms |
(4R*,1'R*,3'R,4'aS*,7'R*,8'S*,8'aR*,5'Z)-4-{3',4',4'a,7',8',8'a-hexahydro-7'-hydroxy-1'-[(methoxycarbonyl)methyl]-5'-methyl-8'-(1-methylethyl)-1'h-2'-benzopyran-3'-yl}-4-methyl-2-buten-4-olide
Methyl {(1R,3R,4aS,7R,8S,8aR)-7-hydroxy-8-isopropyl-5-methyl-3-[(2R)-2-methyl-5-oxo-2,5-dihydro-2-furanyl]-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-yl}acetate |
| Wiley ID |
1358799 |
![1H-2-Benzopyran-1-acetic acid, 3-(2,5-dihydro-2-methyl-5-oxo-2-furanyl)-3,4,4a,7,8,8a-hexahydro-7-hydroxy-5-methyl-8-(1-methylethyl)-, methyl ester, [1.alpha.,3.alpha.(R*),4a.alpha.,7.beta.,8.alpha.,8a.alpha.]-](/api/spectrum/HX2pFoQT0iE/structure.png?h=300&w=458 "1H-2-Benzopyran-1-acetic acid, 3-(2,5-dihydro-2-methyl-5-oxo-2-furanyl)-3,4,4a,7,8,8a-hexahydro-7-hydroxy-5-methyl-8-(1-methylethyl)-, methyl ester, [1.alpha.,3.alpha.(R*),4a.alpha.,7.beta.,8.alpha.,8a.alpha.]-")
