| SpectraBase Spectrum ID |
BpfAPnTSmD |
| Name |
(5R,5aR,8aS)-5a-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxol-6-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-25-17-6-12(7-18(26-2)20(17)27-3)19-14-8-16-15(29-10-30-16)5-11(14)4-13-9-28-21(23)22(13,19)24/h5-8,13,19,24H,4,9-10H2,1-3H3/t13-,19+,22-/m0/s1 |
| InChIKey |
OSBCWJAPNAQIFV-VCHGGQOGSA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020028j |
| Molecular Weight |
414.410 g/mol |
| Optical Rotation |
[a]D22 = +51 (c = 0.075, CHCl3) |
| SMILES |
O[C@@]12[C@@](c3cc4OCOc4cc3C[C@]2(COC1=O)[H])(c1cc(OC)c(OC)c(OC)c1)[H] |
| SPLASH |
splash10-01q9-0092500000-c83c4598a5728380a12b |
| Source of Spectrum |
G4-65-1256-3a |
| Wiley ID |
1883844 |
