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(2R,3R,3aS,9bR)-3-[(4-chlorobenzyl)oxy]-2-[[(4-chlorobenzyl)oxy]methyl]-7-methoxy-3,3a,5,9b-tetrahydro-2H-furo[3,2-c][2]benzopyran

View entire compound with spectra: 1 MS (GC)

(2R,3R,3aS,9bR)-3-[(4-chlorobenzyl)oxy]-2-[[(4-chlorobenzyl)oxy]methyl]-7-methoxy-3,3a,5,9b-tetrahydro-2H-furo[3,2-c][2]benzopyran
SpectraBase Compound ID LnmR5wXrVoB
InChI InChI=1S/C27H26Cl2O5/c1-30-22-10-11-23-19(12-22)15-33-27-25(23)34-24(16-31-13-17-2-6-20(28)7-3-17)26(27)32-14-18-4-8-21(29)9-5-18/h2-12,24-27H,13-16H2,1H3/t24-,25-,26-,27+/m1/s1
InChIKey VRZOTOGRWCBXHA-CWTOASCOSA-N
Mol Weight 501.41 g/mol
Molecular Formula C27H26Cl2O5
Exact Mass 500.115729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T6f9SRxpN2
Name (2R,3R,3aS,9bR)-3-[(4-chlorobenzyl)oxy]-2-[[(4-chlorobenzyl)oxy]methyl]-7-methoxy-3,3a,5,9b-tetrahydro-2H-furo[3,2-c][2]benzopyran
CAS Registry Number 114738-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26Cl2O5
InChI InChI=1S/C27H26Cl2O5/c1-30-22-10-11-23-19(12-22)15-33-27-25(23)34-24(16-31-13-17-2-6-20(28)7-3-17)26(27)32-14-18-4-8-21(29)9-5-18/h2-12,24-27H,13-16H2,1H3/t24-,25-,26-,27+/m1/s1
InChIKey VRZOTOGRWCBXHA-CWTOASCOSA-N
Molecular Weight 501.406 g/mol
SMILES [C@]12([C@@]([C@](OCc3ccc(cc3)Cl)([C@](O1)(COCc1ccc(cc1)Cl)[H])[H])(OCc1c2ccc(OC)c1)[H])[H]
SPLASH splash10-01t9-0900000000-ecc7c9dbc951a218e61d
Source of Spectrum J-53-3292-22
Wiley ID 1398860