| SpectraBase Spectrum ID |
7kXNFhX6q8Z |
| Name |
2.beta.-(3,4-Dimethoxyphenyl)-6.beta.-[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane |
| Alternate Name(s) |
(1S,4S)-1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)tetrahydro-2,5(1H,3H)-pentalenedione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22O6 |
| InChI |
InChI=1S/C23H22O6/c1-26-18-5-3-12(7-20(18)27-2)22-14-9-17(25)23(15(14)10-16(22)24)13-4-6-19-21(8-13)29-11-28-19/h3-8,14-15,22-23H,9-11H2,1-2H3/t14?,15?,22-,23-/m1/s1 |
| InChIKey |
DYTBGIGAJWPPOH-DEIVTJPCSA-N |
| Molecular Weight |
394.423 g/mol |
| SMILES |
C12C([C@@](c3cc4OCOc4cc3)(C(C2)=O)[H])CC([C@@]1(c1cc(OC)c(cc1)OC)[H])=O |
| SPLASH |
splash10-002f-0509000000-364465d0050350bf65c1 |
| Source of Spectrum |
J-60-6210-5 |
| Wiley ID |
1366702 |
![2.beta.-(3,4-Dimethoxyphenyl)-6.beta.-[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane](/api/spectrum/7kXNFhX6q8Z/structure.png?h=300&w=458 "2.beta.-(3,4-Dimethoxyphenyl)-6.beta.-[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane")
