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(E,2'S)-2'-Hydroxy-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'-Hydroxy-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 1hyjFgc19fW
InChI InChI=1S/C67H98O12/c1-47(2)30-23-21-19-17-16-18-20-22-24-39-61(73)74-46-59-62(75-54(9)68)63(76-55(10)69)64(77-56(11)70)65(78-59)79-67(14,15)60(72)43-41-52(7)38-29-36-50(5)35-27-33-48(3)31-25-26-32-49(4)34-28-37-51(6)40-42-57-53(8)58(71)44-45-66(57,12)13/h25-29,31-38,40-43,47,59-60,62-65,72H,16-24,30,39,44-46H2,1-15H3/b26-25+,33-27+,34-28+,36-29+,42-40+,43-41+,48-31+,49-32+,50-35+,51-37+,52-38+/t59-,60+,62-,63+,64-,65+/m1/s1
InChIKey HMWDMUMEQCUNKS-SMLQIYJXSA-N
Mol Weight 1095.5 g/mol
Molecular Formula C67H98O12
Exact Mass 1094.705829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yOCQOuRPe1
Name (E,2'S)-2'-Hydroxy-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 C67H98O12
InChI InChI=1S/C67H98O12/c1-47(2)30-23-21-19-17-16-18-20-22-24-39-61(73)74-46-59-62(75-54(9)68)63(76-55(10)69)64(77-56(11)70)65(78-59)79-67(14,15)60(72)43-41-52(7)38-29-36-50(5)35-27-33-48(3)31-25-26-32-49(4)34-28-37-51(6)40-42-57-53(8)58(71)44-45-66(57,12)13/h25-29,31-38,40-43,47,59-60,62-65,72H,16-24,30,39,44-46H2,1-15H3/b26-25+,33-27+,34-28+,36-29+,42-40+,43-41+,48-31+,49-32+,50-35+,51-37+,52-38+/t59-,60+,62-,63+,64-,65+/m1/s1
InChIKey HMWDMUMEQCUNKS-SMLQIYJXSA-N
Instrument Name Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.1021/np020125c
Molecular Weight 1095.509 g/mol
SMILES 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=1C(CCC(C1C)=O)(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])[H]
SPLASH splash10-002f-9040010000-415095186738df09d6ee
Source of Spectrum G4-65-1343-5
Wiley ID 1883866