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(2S,3S,3aS,9bR)-8-chloro-3-[(4-chlorobenzyl)oxy]-2-[[(4-chlorobenzyl)oxy]methyl]-3,3a,5,9b-tetrahydro-2H-furo[3,2-c][2]benzopyran

View entire compound with spectra: 1 MS (GC)

(2S,3S,3aS,9bR)-8-chloro-3-[(4-chlorobenzyl)oxy]-2-[[(4-chlorobenzyl)oxy]methyl]-3,3a,5,9b-tetrahydro-2H-furo[3,2-c][2]benzopyran
SpectraBase Compound ID 4IJGmkM2K10
InChI InChI=1S/C26H23Cl3O4/c27-19-6-1-16(2-7-19)12-30-15-23-25(31-13-17-3-8-20(28)9-4-17)26-24(33-23)22-11-21(29)10-5-18(22)14-32-26/h1-11,23-26H,12-15H2/t23-,24+,25-,26-/m0/s1
InChIKey KKPATTADGDFDMP-QYOOZWMWSA-N
Mol Weight 505.83 g/mol
Molecular Formula C26H23Cl3O4
Exact Mass 504.066192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMQACbOWT2k
Name (2S,3S,3aS,9bR)-8-chloro-3-[(4-chlorobenzyl)oxy]-2-[[(4-chlorobenzyl)oxy]methyl]-3,3a,5,9b-tetrahydro-2H-furo[3,2-c][2]benzopyran
CAS Registry Number 108008-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23Cl3O4
InChI InChI=1S/C26H23Cl3O4/c27-19-6-1-16(2-7-19)12-30-15-23-25(31-13-17-3-8-20(28)9-4-17)26-24(33-23)22-11-21(29)10-5-18(22)14-32-26/h1-11,23-26H,12-15H2/t23-,24+,25-,26-/m0/s1
InChIKey KKPATTADGDFDMP-QYOOZWMWSA-N
Molecular Weight 505.825 g/mol
SMILES [C@]12([C@@]([C@@](OCc3ccc(cc3)Cl)([C@@](O1)(COCc1ccc(cc1)Cl)[H])[H])(OCc1c2cc(cc1)Cl)[H])[H]
SPLASH splash10-004i-0900000000-eae1e0bca44868e4d34d
Source of Spectrum J-52-2924-11
Wiley ID 1399493