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1H-Isoindole-1,3(2H)-dione, 2-[3-methyl-4-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-2 -butenyl]-, (E)-
SpectraBase Compound ID AVC2SSqb22t
InChI InChI=1S/C27H31NO12/c1-15(29)36-14-21-22(37-16(2)30)23(38-17(3)31)27(5,40-18(4)32)26(39-21)35-13-9-8-12-28-24(33)19-10-6-7-11-20(19)25(28)34/h6-11,21-23,26H,12-14H2,1-5H3/b9-8+/t21-,22-,23+,26-,27-/m1/s1
InChIKey LWEXGTIQWFBWSM-XVRDDNMGSA-N
Mol Weight 561.54 g/mol
Molecular Formula C27H31NO12
Exact Mass 561.184625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3cbCRQ04BG
Name 1H-Isoindole-1,3(2H)-dione, 2-[3-methyl-4-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-2 -butenyl]-, (E)-
CAS Registry Number 67370-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO12
InChI InChI=1S/C27H31NO12/c1-15(29)36-14-21-22(37-16(2)30)23(38-17(3)31)27(5,40-18(4)32)26(39-21)35-13-9-8-12-28-24(33)19-10-6-7-11-20(19)25(28)34/h6-11,21-23,26H,12-14H2,1-5H3/b9-8+/t21-,22-,23+,26-,27-/m1/s1
InChIKey LWEXGTIQWFBWSM-XVRDDNMGSA-N
Molecular Weight 561.540 g/mol
SMILES C1(N(C(c2ccccc12)=O)C\C=C\CO[C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)C)[H])=O
SPLASH splash10-03xr-1971000000-d6ea83e7ea90ce61b6b5
Source of Spectrum B-31-1300-0
Synonyms (2E)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-butenyl 2,3,4,6-tetra-O-acetyl-2-C-methyl-.beta.-D-glucopyranoside (E)-2-Methyl-4-phthalimidobut-2-enyl 2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranoside
Wiley ID 1406824