| SpectraBase Spectrum ID |
4bjdMAVjobC |
| Name |
4H-Cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 6-(benzoyloxy)-3a,5,5a,6,9,10,10a,10b-octahydro-2,2,4,10b-tetramethyl-9-oxo-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,6.alpha.,10a.beta.,10b.alpha.)]- |
| Alternate Name(s) |
(1S,2R,5R,7R,8S,9R,10R)-tert-butyl 8,9-dihydroxy-8,10-dimethyl-12-oxatricyclo[5.4.0.1]dodec-3-ene-4-carboxylate 8,9-acetonide
(1S,2R,7R,8S,9R,10R)-tert-butyl 2-(benzoyloxy)-8,9-dihydroxy-8,10-dimethyl-5-oxobicyclo[5.4.0]undeca-3-ene-4-carboxylate-8,9-acetonide
(1S,2S,7R,8S,9R,10R)-tert-butyl 2-(benzoyloxy)-8,9-dihydroxy-8,10-dimethyl-5-oxobicyclo[5.4.0]undeca-3-ene-4-carboxylate 8,9-acetonide
tert-Butyl (3aR,4R,5aS,6R,10aR,10bS)-6-(benzoyloxy)-2,2,4,10b-tetramethyl-9-oxo-4,5,5a,6,9,10,10a,10b-octahydro-3aH-cyclohepta[e][1,3]benzodioxole-8-carboxylate |
| CAS Registry Number |
82770-02-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O7 |
| InChI |
InChI=1S/C28H36O7/c1-16-13-18-20(28(7)23(16)33-27(5,6)35-28)15-21(29)19(25(31)34-26(2,3)4)14-22(18)32-24(30)17-11-9-8-10-12-17/h8-12,14,16,18,20,22-23H,13,15H2,1-7H3/t16-,18+,20-,22+,23-,28+/m1/s1 |
| InChIKey |
NMCKBKVDMGEEHV-QHEKYWQUSA-N |
| Molecular Weight |
484.589 g/mol |
| SMILES |
[C@]12([C@]3([C@]([C@](C=C(C(C3)=O)C(OC(C)(C)C)=O)(OC(=O)c3ccccc3)[H])([H])C[C@]([C@]2(OC(O1)(C)C)[H])(C)[H])[H])C |
| SPLASH |
splash10-004i-0000900000-319a5032dc35b6ac2d2c |
| Source of Spectrum |
C-104-5738-0 |
| Wiley ID |
1396063 |
![4H-Cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 6-(benzoyloxy)-3a,5,5a,6,9,10,10a,10b-octahydro-2,2,4,10b-tetramethyl-9-oxo-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,6.alpha.,10a.beta.,10b.alpha.)]-](/api/spectrum/4bjdMAVjobC/structure.png?h=300&w=458 "4H-Cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 6-(benzoyloxy)-3a,5,5a,6,9,10,10a,10b-octahydro-2,2,4,10b-tetramethyl-9-oxo-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,6.alpha.,10a.beta.,10b.alpha.)]-")
