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(E,2'S)-2'-Acetoxy-1'-[2,3,4-tri-O-acetyl-6-O-(13-methyltetradecanoyl)-.beta.-D-glucopyranosyloxy]-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-caroten-4-one

View entire compound with spectra: 1 MS (GC)

(E,2'S)-2'-Acetoxy-1'-[2,3,4-tri-O-acetyl-6-O-(13-methyltetradecanoyl)-.beta.-D-glucopyranosyloxy]-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-caroten-4-one
SpectraBase Compound ID 1fC8wtvgyHo
InChI InChI=1S/C69H100O13/c1-48(2)31-24-22-20-18-17-19-21-23-25-40-63(75)76-47-61-64(78-56(10)71)65(79-57(11)72)66(80-58(12)73)67(81-61)82-69(15,16)62(77-55(9)70)44-42-53(7)39-30-37-51(5)36-28-34-49(3)32-26-27-33-50(4)35-29-38-52(6)41-43-59-54(8)60(74)45-46-68(59,13)14/h26-30,32-39,41-44,48,61-62,64-67H,17-25,31,40,45-47H2,1-16H3/b27-26+,34-28+,35-29+,37-30+,43-41+,44-42+,49-32+,50-33+,51-36+,52-38+,53-39+/t61-,62+,64-,65+,66-,67+/m1/s1
InChIKey ZMSBCCRSFIGJRX-RQQMAMLZSA-N
Mol Weight 1137.5 g/mol
Molecular Formula C69H100O13
Exact Mass 1136.716393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ufX8CkDLgs
Name (E,2'S)-2'-Acetoxy-1'-[2,3,4-tri-O-acetyl-6-O-(13-methyltetradecanoyl)-.beta.-D-glucopyranosyloxy]-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-caroten-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C69H100O13
InChI InChI=1S/C69H100O13/c1-48(2)31-24-22-20-18-17-19-21-23-25-40-63(75)76-47-61-64(78-56(10)71)65(79-57(11)72)66(80-58(12)73)67(81-61)82-69(15,16)62(77-55(9)70)44-42-53(7)39-30-37-51(5)36-28-34-49(3)32-26-27-33-50(4)35-29-38-52(6)41-43-59-54(8)60(74)45-46-68(59,13)14/h26-30,32-39,41-44,48,61-62,64-67H,17-25,31,40,45-47H2,1-16H3/b27-26+,34-28+,35-29+,37-30+,43-41+,44-42+,49-32+,50-33+,51-36+,52-38+,53-39+/t61-,62+,64-,65+,66-,67+/m1/s1
InChIKey ZMSBCCRSFIGJRX-RQQMAMLZSA-N
Instrument Name Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.1021/np020125c
Molecular Weight 1137.546 g/mol
SMILES C1C(C(=C(C(C1)=O)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\[C@@](C(C)(C)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)CCCCCCCCCCCC(C)C)[H])[H])(OC(C)=O)[H])C)C)C)C)C)(C)C
SPLASH splash10-0006-9010000000-3920fcdae8087bb3650e
Source of Spectrum G4-65-1343-6
Wiley ID 1883867