| SpectraBase Spectrum ID |
1DNtoboj2NB |
| Name |
4H-Cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 3a,5,5a,10,10a,10b-hexahydro-9-hydroxy-2,2,4,10b-tetramethyl-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,10a.beta.,10b.alpha.)]- |
| CAS Registry Number |
82769-98-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-12-10-13-8-9-14(18(23)25-19(2,3)4)16(22)11-15(13)21(7)17(12)24-20(5,6)26-21/h8-9,12-13,15,17,22H,10-11H2,1-7H3/t12-,13+,15-,17-,21+/m1/s1 |
| InChIKey |
MYAGCTPERGDQOH-PYAPEJHSSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
OC1=C(C(OC(C)(C)C)=O)C=C[C@@]2([C@]([C@]3([C@](OC(O3)(C)C)([C@](C)(C2)[H])[H])C)(C1)[H])[H] |
| SPLASH |
splash10-0006-0091000000-85188b37c22e74a3ba6a |
| Source of Spectrum |
C-104-5737-0 |
| Synonyms |
(1R,7S,9R,10R,11S)-tert-butyl 3,10,11-trihydroxy-9,11-dimethylbicyclo[.4.0]undeca-3,5-diene-4-carboxylate
tert-butyl (3aR,4R,5aR,10aR,10bS)-9-hydroxy-2,2,4,10b-tetramethyl-4,5,5a,10,10a,10b-hexahydro-3aH-cyclohepta[e][1,3]benzodioxole-8-carboxylate |
| Wiley ID |
1350902 |
![4H-Cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 3a,5,5a,10,10a,10b-hexahydro-9-hydroxy-2,2,4,10b-tetramethyl-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,10a.beta.,10b.alpha.)]-](/api/spectrum/1DNtoboj2NB/structure.png?h=300&w=458 "4H-Cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 3a,5,5a,10,10a,10b-hexahydro-9-hydroxy-2,2,4,10b-tetramethyl-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,10a.beta.,10b.alpha.)]-")
