| SpectraBase Spectrum ID |
12m2y1hhIoc |
| Name |
1,3-Benzodioxole-4-butanoic acid, hexahydro-2,2,3a,7-tetramethyl-.beta.-oxo-5-(2-propenyl)-, 1,1-dimethylethyl ester, [3aS-(3a.alpha.,4.alpha.,5.alpha.,7.beta.,7a.alpha.)]- |
| CAS Registry Number |
82769-96-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36O5 |
| InChI |
InChI=1S/C22H36O5/c1-9-10-15-11-14(2)19-22(8,27-21(6,7)26-19)17(15)12-16(23)13-18(24)25-20(3,4)5/h9,14-15,17,19H,1,10-13H2,2-8H3/t14-,15-,17-,19-,22+/m1/s1 |
| InChIKey |
WOOJSQXNISAXGE-HATCOWNQSA-N |
| Molecular Weight |
380.525 g/mol |
| SMILES |
[C@]12([C@](OC(O2)(C)C)([C@](C)(C[C@]([C@]1(CC(CC(OC(C)(C)C)=O)=O)[H])(CC=C)[H])[H])[H])C |
| SPLASH |
splash10-003r-0009000000-72fb09f9ad503fd3dabf |
| Source of Spectrum |
C-104-5737-0 |
| Synonyms |
(1R,2S,3R,4S,6R)-2,6-dimethyl-4-(2-propenyl)-3-(3-(tert-butoxycarbonyl)-2-oxopropyl)cyclohexane-1,2-diol 1,2-acetonide
tert-butyl 4-[(3aS,4R,5R,7R,7aR)-5-allyl-2,2,3a,7-tetramethylhexahydro-1,3-benzodioxol-4-yl]-3-oxobutanoate |
| Wiley ID |
1359831 |
![1,3-Benzodioxole-4-butanoic acid, hexahydro-2,2,3a,7-tetramethyl-.beta.-oxo-5-(2-propenyl)-, 1,1-dimethylethyl ester, [3aS-(3a.alpha.,4.alpha.,5.alpha.,7.beta.,7a.alpha.)]-](/api/spectrum/12m2y1hhIoc/structure.png?h=300&w=458 "1,3-Benzodioxole-4-butanoic acid, hexahydro-2,2,3a,7-tetramethyl-.beta.-oxo-5-(2-propenyl)-, 1,1-dimethylethyl ester, [3aS-(3a.alpha.,4.alpha.,5.alpha.,7.beta.,7a.alpha.)]-")
