| SpectraBase Spectrum ID |
HNlnOUNTczk |
| Name |
6,9-Epoxy-4H-cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 3a,5,5a,6,9,10,10a,10b-octahydro-9-hydroxy-2,2,4,10b-tetramethyl-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,6.alpha.,9.beta.,10a.beta.,10b.alph a.)]- |
| CAS Registry Number |
82769-99-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O6 |
| InChI |
InChI=1S/C21H32O6/c1-11-8-12-14(21(7)17(11)25-20(5,6)27-21)10-16(23)13(9-15(12)22)18(24)26-19(2,3)4/h9,11-12,14-15,17,22H,8,10H2,1-7H3/t11-,12-,14-,15-,17-,21+/m1/s1 |
| InChIKey |
MRZLHCRHMGXHEI-AXUMVWAZSA-N |
| Molecular Weight |
380.481 g/mol |
| SMILES |
O[C@@]1(C=C(C(C[C@]2([C@]3([C@](OC(O3)(C)C)([C@@](C[C@@]12[H])(C)[H])[H])C)[H])=O)C(OC(C)(C)C)=O)[H] |
| SPLASH |
splash10-03di-0009000000-3ba761998563a5488d0b |
| Source of Spectrum |
C-104-5738-0 |
| Synonyms |
(1R,2S,7R,8S,9R,10R)-tert-butyl 2,8,9-trihydroxy-8,10-dimethyl-5-oxobicyclo[5.4.0]undeca-3-ene-4-carboxylate 8,9-acetonide
tert-butyl (3aR,4R,5aR,6S,10aR,10bS)-6-hydroxy-2,2,4,10b-tetramethyl-9-oxo-4,5,5a,6,9,10,10a,10b-octahydro-3aH-cyclohepta[e][1,3]benzodioxole-8-carboxylate |
| Wiley ID |
1359730 |
![6,9-Epoxy-4H-cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 3a,5,5a,6,9,10,10a,10b-octahydro-9-hydroxy-2,2,4,10b-tetramethyl-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,6.alpha.,9.beta.,10a.beta.,10b.alph a.)]-](/api/spectrum/HNlnOUNTczk/structure.png?h=300&w=458 "6,9-Epoxy-4H-cyclohepta[e]-1,3-benzodioxole-8-carboxylic acid, 3a,5,5a,6,9,10,10a,10b-octahydro-9-hydroxy-2,2,4,10b-tetramethyl-, 1,1-dimethylethyl ester, [3aR-(3a.alpha.,4.beta.,5a.alpha.,6.alpha.,9.beta.,10a.beta.,10b.alph a.)]-")
