| SpectraBase Spectrum ID |
LsDQTQBRIZu |
| Name |
(5R,5aS,8aS)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one |
| CAS Registry Number |
64550-41-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O7 |
| InChI |
InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19-,20-/m1/s1 |
| InChIKey |
ZGLXUQQMLLIKAN-SMHULIPUSA-N |
| Molecular Weight |
398.411 g/mol |
| SMILES |
c12[C@@](c3cc(OC)c(c(c3)OC)OC)([C@@]3(C(OC[C@]3(Cc1cc1c(c2)OCO1)[H])=O)[H])[H] |
| SPLASH |
splash10-0002-0009000000-c6106bdee7711138f580 |
| Source of Spectrum |
X2-56-1734-7 |
| Synonyms |
(5R,5aS,8aS)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one |
| Wiley ID |
1605129 |
