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Benzo[4,5]cyclodeca[1,2-b]furan-5-carboxaldehyde, 4,7,8,8a,9,12,12a,13-octahydro-12-hydroxy-1,8a,12-trimethyl-9-oxo-, (5Z,8aR*,12S*,12aR*)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzo[4,5]cyclodeca[1,2-b]furan-5-carboxaldehyde, 4,7,8,8a,9,12,12a,13-octahydro-12-hydroxy-1,8a,12-trimethyl-9-oxo-, (5Z,8aR*,12S*,12aR*)-
SpectraBase Compound ID IXQtXPocn94
InChI InChI=1S/C20H24O4/c1-13-12-24-16-9-14(11-21)5-4-7-19(2)17(10-15(13)16)20(3,23)8-6-18(19)22/h5-6,8,11-12,17,23H,4,7,9-10H2,1-3H3/b14-5+/t17-,19-,20+/m1/s1
InChIKey FQRSBZWDKWILQN-FOWFQUFDSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AB2nMtVCRIF
Name Benzo[4,5]cyclodeca[1,2-B]furan-5-carboxaldehyde, 4,7,8,8A,9,12,12A,13-octahydro-12-hydroxy-1,8A,12-trimethyl-9-oxo-, (5Z,8ar*,12S*,12AR*)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-13-12-24-16-9-14(11-21)5-4-7-19(2)17(10-15(13)16)20(3,23)8-6-18(19)22/h5-6,8,11-12,17,23H,4,7,9-10H2,1-3H3/b14-5+/t17-,19-,20+/m1/s1
InChIKey FQRSBZWDKWILQN-FOWFQUFDSA-N
Molecular Weight 328.408 g/mol
SMILES C12=C(OC=C2C)C\C(=C/CC[C@@]2([C@@](C1)([C@](C=CC2=O)(O)C)[H])C)C=O