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CHLOROHYSSOPIFOLIN_A

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

CHLOROHYSSOPIFOLIN_A
SpectraBase Compound ID 11BetQgp03e
InChI InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3
InChIKey NUVAJKJDTZTFLK-UHFFFAOYSA-N
Mol Weight 435.3 g/mol
Molecular Formula C19H24Cl2O7
Exact Mass 434.089909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oxPmAFxPxx
Name Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazu leno[4,5-b]furan-4-yl ester
CAS Registry Number 66141-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24Cl2O7
InChI InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3
InChIKey NUVAJKJDTZTFLK-UHFFFAOYSA-N
Molecular Weight 435.300 g/mol
SMILES OC(C(OC1C2C(C3C(C(CC3C(C1)=C)O)(O)CCl)OC(C2=C)=O)=O)(CCl)C
SPLASH splash10-0006-9040000000-5af5dd7a34d98912eb9d
Source of Spectrum F-33-2202-0
Synonyms 3-Chloro-2-hydroxy-2-methyl-propionic acid[9-(chloromethyl)-8,9-dihydroxy-2-keto-3,6-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]ester 3-Chloro-2-hydroxy-2-methylpropanoic acid[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]ester 9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 3-chloro-2-hydroxy-2-methylpropanoate Azuleno[4,5-b]furan, propanoic acid deriv. Dichlorhydrine [9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]3-chloranyl-2-methyl-2-oxidanyl-propanoate [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]3-chloro-2-hydroxy-2-methyl-propanoate [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl]3-chloro-2-hydroxy-2-methylpropanoate 3-Chloro-2-hydroxy-2-methylpropanoic acid [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methyl-propanoate [9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloranyl-2-methyl-2-oxidanyl-propanoate
Wiley ID 1382840