| SpectraBase Spectrum ID |
2O29EWoHMcN |
| Name |
(3aS,4R,9R,9aR)-4-(1,3-benzodioxol-5-yl)-3a,9,9a-trihydroxy-5,6,7-trimethoxy-4,9-dihydro-1H-benzo[f]isobenzofuran-3-one |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O10 |
| InChI |
InChI=1S/C22H22O10/c1-27-14-7-11-15(18(29-3)17(14)28-2)16(10-4-5-12-13(6-10)32-9-31-12)22(26)20(24)30-8-21(22,25)19(11)23/h4-7,16,19,23,25-26H,8-9H2,1-3H3/t16-,19-,21-,22-/m1/s1 |
| InChIKey |
BLNVNOBVWUIDLJ-JCXROGDPSA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020028j |
| Molecular Weight |
446.408 g/mol |
| Optical Rotation |
[a]D22 = +16 (c = 1.0, CHCl3) |
| SMILES |
O[C@]12C(OC[C@]1([C@@](c1cc(c(c(c1[C@]2(c1cc2OCOc2cc1)[H])OC)OC)OC)(O)[H])O)=O |
| SPLASH |
splash10-01ot-1139500000-658ec1d9aebeda7e08b1 |
| Source of Spectrum |
G4-65-1256-1a |
| Wiley ID |
1883841 |
