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Benzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one, 10-chloro-4,8,8a,12,12a,13-hexahydro-12-hydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-, (5E,8aR*,12R*,12aR*)-
SpectraBase Compound ID F0sVeYq38ZW
InChI InChI=1S/C20H25ClO4/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/h5,9,11,17,22,24H,4,6-8,10H2,1-3H3/b13-5+/t17-,19-,20+/m1/s1
InChIKey JNEDDELVEJRZBZ-WNUQZNQISA-N
Mol Weight 364.87 g/mol
Molecular Formula C20H25ClO4
Exact Mass 364.144137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hPSLEwGFy4
Name Benzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one, 10-chloro-4,8,8a,12,12a,13-hexahydro-12-hydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-, (5E,8aR*,12R*,12aR*)-
CAS Registry Number 114933-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClO4
InChI InChI=1S/C20H25ClO4/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/h5,9,11,17,22,24H,4,6-8,10H2,1-3H3/b13-5+/t17-,19-,20+/m1/s1
InChIKey JNEDDELVEJRZBZ-WNUQZNQISA-N
Molecular Weight 364.869 g/mol
SMILES O[C@]1(C=C(C([C@]2([C@]1(Cc1c(C\C(CO)=C\CC2)occ1C)[H])C)=O)Cl)C
SPLASH splash10-0007-9401000000-cae5bbf15e48f086e17c
Source of Spectrum H-71-484-11
Synonyms (-)-(8aR*,12R*,12aR*,5E,10E)-10-Chloro-7,8,8a,12,12a,13-hexahydro-12-hydroxy-5-(hydroxymethyl)-1,8a,12-trimethylbenzo[4,5]cyclodeca[1,2-b]furan-9(4H)-one (8aR,12R,12aR)-10-chloro-12-hydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one
Wiley ID 1350765