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3-O-[(S)-3',4'-Dihydro-6'-methoxy-2',5',7',8'-tetramethyl-2H-[1]benzopyran-2'-ylcarbonyl]-1,2 ; 5,6-di-O-isopropylidene-.alpha.-D-glucofuranose -
SpectraBase Compound ID GXz58DzALF8
InChI InChI=1S/C27H38O9/c1-13-14(2)19-16(15(3)18(13)29-9)10-11-27(8,35-19)24(28)32-21-20(17-12-30-25(4,5)33-17)31-23-22(21)34-26(6,7)36-23/h17,20-23H,10-12H2,1-9H3/t17-,20-,21+,22-,23-,27+/m1/s1
InChIKey HXGGFBQWKNACLB-CDOWRCBSSA-N
Mol Weight 506.6 g/mol
Molecular Formula C27H38O9
Exact Mass 506.251583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Wuxy0oD8Gz
Name 3-O-[(S)-3',4'-Dihydro-6'-methoxy-2',5',7',8'-tetramethyl-2H-[1]benzopyran-2'-ylcarbonyl]-1,2 ; 5,6-di-O-isopropylidene-.alpha.-D-glucofuranose -
CAS Registry Number 139657-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O9
InChI InChI=1S/C27H38O9/c1-13-14(2)19-16(15(3)18(13)29-9)10-11-27(8,35-19)24(28)32-21-20(17-12-30-25(4,5)33-17)31-23-22(21)34-26(6,7)36-23/h17,20-23H,10-12H2,1-9H3/t17-,20-,21+,22-,23-,27+/m1/s1
InChIKey HXGGFBQWKNACLB-CDOWRCBSSA-N
Molecular Weight 506.592 g/mol
SMILES [C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@@]1(OC(O2)(C)C)[H])[H])(OC([C@]1(Oc2c(c(C)c(c(c2CC1)C)OC)C)C)=O)[H])[H]
SPLASH splash10-0aor-0090180000-1d8cf84e03d1e18d5107
Source of Spectrum U-1992-545-5
Synonyms (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl (2S)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate
Wiley ID 764148