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1,2-O-Isopropylidene-3-O-(p-tert-butylbenzyl)-4,5-O-[(1'S)-trans-3'-phenyl-2'-propen-1'-yl]-.beta.-D-fluctopyranose
SpectraBase Compound ID 3rOYpTkRLR
InChI InChI=1S/C29H36O6/c1-27(2,3)22-14-11-21(12-15-22)17-30-26-25-23(18-31-29(26)19-32-28(4,5)35-29)33-24(34-25)16-13-20-9-7-6-8-10-20/h6-16,23-26H,17-19H2,1-5H3/b16-13+/t23-,24+,25-,26+,29-/m1/s1
InChIKey IQYLXRNRXQZHJD-HNQPMOEGSA-N
Mol Weight 480.6 g/mol
Molecular Formula C29H36O6
Exact Mass 480.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdkP5feJJfS
Name 1,2-O-Isopropylidene-3-O-(p-tert-butylbenzyl)-4,5-O-[(1'S)-trans-3'-phenyl-2'-propen-1'-yl]-.beta.-D-fluctopyranose
Alternate Name(s) (1S,2R,4aR,6S,7aR)-1-[(4-tert-butylphenyl)methoxy]-5',5'-dimethyl-6-[(E)-2-phenylethenyl]-tetrahydro-1H-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-[1,4]dioxolane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O6
InChI InChI=1S/C29H36O6/c1-27(2,3)22-14-11-21(12-15-22)17-30-26-25-23(18-31-29(26)19-32-28(4,5)35-29)33-24(34-25)16-13-20-9-7-6-8-10-20/h6-16,23-26H,17-19H2,1-5H3/b16-13+/t23-,24+,25-,26+,29-/m1/s1
InChIKey IQYLXRNRXQZHJD-HNQPMOEGSA-N
Molecular Weight 480.601 g/mol
SMILES [C@@]12([C@]([C@@]3(O[C@@](\C=C\c4ccccc4)(O[C@@]3(CO1)[H])[H])[H])(OCc1ccc(C(C)(C)C)cc1)[H])OC(C)(C)OC2
SPLASH splash10-0002-1900000000-01dd48b1c681b99496b9
Source of Spectrum J-60-574-34
Wiley ID 1395266