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Benzo[4,5]cyclodeca[1,2-b]furan-5-carboxaldehyde, 10-chloro-4,7,8,8a,9,12,12a,13-octahydro-12-hydroxy-1,8a,12-trimethyl-9-oxo-, (5E,8aR*,12R*,12aR*)-
SpectraBase Compound ID I7A7CefQINO
InChI InChI=1S/C20H23ClO4/c1-12-11-25-16-7-13(10-22)5-4-6-19(2)17(8-14(12)16)20(3,24)9-15(21)18(19)23/h5,9-11,17,24H,4,6-8H2,1-3H3/b13-5+/t17-,19-,20+/m1/s1
InChIKey KIFKTJMQLNOSFR-WNUQZNQISA-N
Mol Weight 362.85 g/mol
Molecular Formula C20H23ClO4
Exact Mass 362.128487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXabpG5E5Ql
Name Benzo[4,5]cyclodeca[1,2-b]furan-5-carboxaldehyde, 10-chloro-4,7,8,8a,9,12,12a,13-octahydro-12-hydroxy-1,8a,12-trimethyl-9-oxo-, (5E,8aR*,12R*,12aR*)-
CAS Registry Number 114933-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClO4
InChI InChI=1S/C20H23ClO4/c1-12-11-25-16-7-13(10-22)5-4-6-19(2)17(8-14(12)16)20(3,24)9-15(21)18(19)23/h5,9-11,17,24H,4,6-8H2,1-3H3/b13-5+/t17-,19-,20+/m1/s1
InChIKey KIFKTJMQLNOSFR-WNUQZNQISA-N
Molecular Weight 362.853 g/mol
SMILES O[C@@]1([C@]2([C@](C(C(=C1)Cl)=O)(CC\C=C/(Cc1c(C2)c(co1)C)C=O)C)[H])C
SPLASH splash10-0006-9002000000-5321400ae7b852b130eb
Source of Spectrum H-71-484-12
Synonyms (-)-(8aR,12R,12aR,5E,10E)-10-chloro-4,7,8,8a,9,12,12a,13-octahydro-12-hydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-9-oxobenzo[4,5]cyclodeca[1,2-b]furan-5-carbaldehyde (8aR,12R,12aR)-10-chloro-12-hydroxy-1,8a,12-trimethyl-9-oxo-4,7,8,8a,9,12,12a,13-octahydrobenzo[4,5]cyclodeca[1,2-b]furan-5-carbaldehyde
Wiley ID 1349567