| SpectraBase Spectrum ID |
6eTbq7P2VMl |
| Name |
1H-2-Benzopyran-1-acetic acid, 3,4,4a,7,8,8a-hexahydro-7-hydroxy-5-methyl-8-(1-methylethyl)-3-(tetrahydro-3-methoxy-2-methyl-5-oxo-2-furanyl)-, methyl ester, [1.alpha.,3.alpha.(2R*,3R*),4a.alpha.,7.bet a.,8.alpha.,8a.alpha.]- |
| CAS Registry Number |
122053-01-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O7 |
| InChI |
InChI=1S/C22H34O7/c1-11(2)20-14(23)7-12(3)13-8-17(22(4)16(26-5)10-19(25)29-22)28-15(21(13)20)9-18(24)27-6/h7,11,13-17,20-21,23H,8-10H2,1-6H3/t13-,14+,15-,16-,17-,20-,21+,22-/m1/s1 |
| InChIKey |
NWNZFYULVJNCDV-VYISLSRFSA-N |
| Molecular Weight |
410.507 g/mol |
| SMILES |
O[C@]1(C=C([C@]2(C[C@]([C@@]3(OC(=O)C[C@]3(OC)[H])C)(O[C@](CC(=O)OC)([C@]2([C@@]1(C(C)C)[H])[H])[H])[H])[H])C)[H] |
| SPLASH |
splash10-00kf-5900000000-e0d55f08d0f2cfc394d2 |
| Source of Spectrum |
H-71-975-13 |
| Synonyms |
(3R*,4R*,1'S*,3'S,4'aR*,7'S*,8'R*,8'aS*,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}-3-methoxy-4-methylbutan-4-olide
Methyl 2-[(1R,3R,4aS,7R,8S,8aR)-7-hydroxy-3-[(2R,3R)-3-methoxy-2-methyl-5-oxooxolan-2-yl]-5-methyl-8-(propan-2-yl)-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-yl]acetate |
| Wiley ID |
1373628 |
![1H-2-Benzopyran-1-acetic acid, 3,4,4a,7,8,8a-hexahydro-7-hydroxy-5-methyl-8-(1-methylethyl)-3-(tetrahydro-3-methoxy-2-methyl-5-oxo-2-furanyl)-, methyl ester, [1.alpha.,3.alpha.(2R*,3R*),4a.alpha.,7.bet a.,8.alpha.,8a.alpha.]-](/api/spectrum/6eTbq7P2VMl/structure.png?h=300&w=458 "1H-2-Benzopyran-1-acetic acid, 3,4,4a,7,8,8a-hexahydro-7-hydroxy-5-methyl-8-(1-methylethyl)-3-(tetrahydro-3-methoxy-2-methyl-5-oxo-2-furanyl)-, methyl ester, [1.alpha.,3.alpha.(2R*,3R*),4a.alpha.,7.bet a.,8.alpha.,8a.alpha.]-")
