| SpectraBase Spectrum ID |
CljS0PTG4P3 |
| Name |
Spiro[5H-cyclohepta[f]-1,3-benzodioxole-5,1'-[2,5]cyclohexadien]-4'-one, 6,7,8,9-tetrahydro-3',4-dimethoxy-, [5S-(5.alpha.,7.alpha.,8.beta.)]- |
| Alternate Name(s) |
(-)-Eupodienone 9
(1S,12'R,13'R)-3,8'-dimethoxy-12',13'-dimethyl-4',6'-dioxaspiro[cyclohexane-1,10'-tricyclo[7.5.0.0(3,7)]tetradecane]-1'(9'),2,2',5,7'-pentaen-4-one
Eupodienone-9,or (5S,7R,8R)-3',4-dimethoxy-7,8-dimethyl-2,3-methylenedioxy-6,7,8,9-tetra-hydrospiro[5H-benzocycloheptene-5,1'-cyclohexa-2',5'-dien]-4'-one |
| CAS Registry Number |
133162-96-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-12-7-14-8-16-19(26-11-25-16)20(24-4)18(14)21(9-13(12)2)6-5-15(22)17(10-21)23-3/h5-6,8,10,12-13H,7,9,11H2,1-4H3/t12-,13-,21-/m1/s1 |
| InChIKey |
HNPONWCHSOUHHO-SQHYZVFZSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
[C@@]12(c3c(c4OCOc4cc3C[C@]([C@@](C1)(C)[H])(C)[H])OC)C=C(OC)C(C=C2)=O |
| SPLASH |
splash10-0a4i-0009000000-6584ee2c7acee565c099 |
| Source of Spectrum |
B-43-1879-10 |
| Wiley ID |
1345926 |
![(5R,7R,8R)-3',4-DIMETHOXY-7,8-DIMETHYL-2,3-METHYLENEDIOXY-6,7,8,9-TETRAHYDROSPIRO-[5H-BENZOCYCLOHEPTENE-5,1'-CYCLOHEXA-2',5'-DIEN]-4'-ONE;EUPODIENONE-8](/api/spectrum/CljS0PTG4P3/structure.png?h=300&w=458 "(5R,7R,8R)-3',4-DIMETHOXY-7,8-DIMETHYL-2,3-METHYLENEDIOXY-6,7,8,9-TETRAHYDROSPIRO-[5H-BENZOCYCLOHEPTENE-5,1'-CYCLOHEXA-2',5'-DIEN]-4'-ONE;EUPODIENONE-8")
