For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methoxy]butyl ester
SpectraBase Compound ID AhSP9NFH5jW
InChI InChI=1S/C24H34O8/c1-14(30-18(28)24-12-10-22(7,16(26)32-24)20(24,4)5)8-13-29-17(27)23-11-9-21(6,15(25)31-23)19(23,2)3/h14H,8-13H2,1-7H3/t14?,21-,22+,23+,24-/m1/s1
InChIKey KAUBRTMFQQFGCE-ZURUABQWSA-N
Mol Weight 450.5 g/mol
Molecular Formula C24H34O8
Exact Mass 450.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CuQiCgP3c6w
Name 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methoxy]butyl ester
CAS Registry Number 59744-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O8
InChI InChI=1S/C24H34O8/c1-14(30-18(28)24-12-10-22(7,16(26)32-24)20(24,4)5)8-13-29-17(27)23-11-9-21(6,15(25)31-23)19(23,2)3/h14H,8-13H2,1-7H3/t14?,21-,22+,23+,24-/m1/s1
InChIKey KAUBRTMFQQFGCE-ZURUABQWSA-N
Molecular Weight 450.528 g/mol
SMILES C[C@]12CC[C@](OC2=O)(C(=O)OCCC(OC(=O)[C@]23CC[C@](C(=O)O3)(C)C2(C)C)C)C1(C)C
SPLASH splash10-0a59-9710100000-03a21598046502de7d75
Synonyms 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxybutyl ester 3-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxybutyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate 3-([(4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]oxy)butyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 3-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyloxy]butyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate
Wiley ID 1485331