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Propanoic acid, 2,2-dimethyl-, 2,8-bis(acetyloxy)-3,3a,4,5,8,8a-hexahydro-4-azulenyl ester, (3a.alpha.,4.alpha.,8.alpha.,8a.alpha.)-

View entire compound with spectra: 1 MS (GC)

Propanoic acid, 2,2-dimethyl-, 2,8-bis(acetyloxy)-3,3a,4,5,8,8a-hexahydro-4-azulenyl ester, (3a.alpha.,4.alpha.,8.alpha.,8a.alpha.)-
SpectraBase Compound ID I7Ovd8UJv7F
InChI InChI=1S/C19H26O6/c1-11(20)23-13-9-14-15(10-13)17(25-18(22)19(3,4)5)8-6-7-16(14)24-12(2)21/h6-7,9,14-17H,8,10H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKey UQBGSNGLXVVDQY-VVLHAWIVSA-N
Mol Weight 350.41 g/mol
Molecular Formula C19H26O6
Exact Mass 350.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKM5R1LUCHc
Name Propanoic acid, 2,2-dimethyl-, 2,8-bis(acetyloxy)-3,3a,4,5,8,8a-hexahydro-4-azulenyl ester, (3a.alpha.,4.alpha.,8.alpha.,8a.alpha.)-
CAS Registry Number 112067-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O6
InChI InChI=1S/C19H26O6/c1-11(20)23-13-9-14-15(10-13)17(25-18(22)19(3,4)5)8-6-7-16(14)24-12(2)21/h6-7,9,14-17H,8,10H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKey UQBGSNGLXVVDQY-VVLHAWIVSA-N
Molecular Weight 350.411 g/mol
SMILES [C@]12([C@]([C@](OC(C(C)(C)C)=O)(CC=C[C@@]2(OC(=O)C)[H])[H])(CC(=C1)OC(=O)C)[H])[H]
SPLASH splash10-0002-1190000000-97ffaa53945657536672
Source of Spectrum J-53-442-0
Synonyms (3aR,4R,8S,8aR)-2,8-bis(acetyloxy)-3,3a,4,5,8,8a-hexahydro-4-azulenyl pivalate 2,8-Diacetoxy-4-(trimethylacetoxy)-3,3a.alpha.,4,5,8,8a.alpha.-hexahydroazulene
Wiley ID 1341929