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

*Links on SpectraBase are not permalinks.
(1S,2R,4ar,7S,8ar)-7-(Acetyloxy)-octahydro-.beta.,1,2,4A,5-pentamethylnaphthalene-1-pentanoic acid
SpectraBase Compound ID 94Yr8OI9PIs
InChI InChI=1S/C22H36O4/c1-14(11-20(24)25)7-9-21(5)15(2)8-10-22(6)16(3)12-18(13-19(21)22)26-17(4)23/h12,14-15,18-19H,7-11,13H2,1-6H3,(H,24,25)/t14?,15-,18-,19-,21+,22+/m1/s1
InChIKey FPDCHHKVQLVTGK-DWLNCZJVSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FoNrMCmiJ6V
Name (1S,2R,4ar,7S,8ar)-7-(Acetyloxy)-octahydro-.beta.,1,2,4A,5-pentamethylnaphthalene-1-pentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-14(11-20(24)25)7-9-21(5)15(2)8-10-22(6)16(3)12-18(13-19(21)22)26-17(4)23/h12,14-15,18-19H,7-11,13H2,1-6H3,(H,24,25)/t14?,15-,18-,19-,21+,22+/m1/s1
InChIKey FPDCHHKVQLVTGK-DWLNCZJVSA-N
Molecular Weight 364.526 g/mol
SMILES [C@]12([C@@]([C@](CCC(CC(=O)O)C)(C)[C@@](CC2)(C)[H])(C[C@@](C=C1C)(OC(=O)C)[H])[H])C