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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-1,5,8a,12-tetramethyl-, (5E,8aR*,12R*,12aR*)-(-)-
SpectraBase Compound ID IHNGfOXFcb2
InChI InChI=1S/C20H25ClO3/c1-12-6-5-7-19(3)17(20(4,23)10-15(21)18(19)22)9-14-13(2)11-24-16(14)8-12/h6,10-11,17,23H,5,7-9H2,1-4H3/b12-6+/t17-,19-,20+/m1/s1
InChIKey ICSLIUSMJIWYQL-IUJAEDDQSA-N
Mol Weight 348.87 g/mol
Molecular Formula C20H25ClO3
Exact Mass 348.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hAfafjYEWD
Name Benzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one, 10-chloro-4,8,8a,12,12a,13-hexahydro-12-hydroxy-1,5,8a,12-tetramethyl-, (5E,8aR*,12R*,12aR*)-(-)-
CAS Registry Number 114915-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClO3
InChI InChI=1S/C20H25ClO3/c1-12-6-5-7-19(3)17(20(4,23)10-15(21)18(19)22)9-14-13(2)11-24-16(14)8-12/h6,10-11,17,23H,5,7-9H2,1-4H3/b12-6+/t17-,19-,20+/m1/s1
InChIKey ICSLIUSMJIWYQL-IUJAEDDQSA-N
Molecular Weight 348.870 g/mol
SMILES O[C@@]1([C@]2([C@](C(C(=C1)Cl)=O)(CC\C=C\(Cc1c(C2)c(co1)C)C)C)[H])C
SPLASH splash10-052b-2908000000-aceb0138252603891706
Source of Spectrum H-71-483-6
Synonyms (-)-(8aR*,12R*,12aR*,5E,10E)-10-Chloro-7,8,8a,12,12a,13-hexahydro-12-hydroxy-1,5,8a,12-tetramethylbenzo[4,5]cyclodeca[1,2-b]furan-9(4H)-one (8aR,12R,12aR)-10-chloro-12-hydroxy-1,5,8a,12-tetramethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one Verecynarmin D
Wiley ID 1340680