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(2R,3S,2'R,3'S)-2,3,2',3'-Tetraacetoxy-.beta.,.beta.-carotene-4,4'-dione
SpectraBase Compound ID EoICdjWVhon
InChI InChI=1S/C48H60O10/c1-29(21-17-23-31(3)25-27-39-33(5)41(53)43(55-35(7)49)45(47(39,11)12)57-37(9)51)19-15-16-20-30(2)22-18-24-32(4)26-28-40-34(6)42(54)44(56-36(8)50)46(48(40,13)14)58-38(10)52/h15-28,43-46H,1-14H3/b16-15+,21-17+,22-18+,27-25+,28-26+,29-19+,30-20+,31-23+,32-24+/t43-,44-,45+,46+/m1/s1
InChIKey BVOMQQXROYALAT-GXOYVZCWSA-N
Mol Weight 797.0 g/mol
Molecular Formula C48H60O10
Exact Mass 796.418648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAFLZet1OLC
Name (2R,3S,2'R,3'S)-2,3,2',3'-Tetraacetoxy-.beta.,.beta.-carotene-4,4'-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H60O10
InChI InChI=1S/C48H60O10/c1-29(21-17-23-31(3)25-27-39-33(5)41(53)43(55-35(7)49)45(47(39,11)12)57-37(9)51)19-15-16-20-30(2)22-18-24-32(4)26-28-40-34(6)42(54)44(56-36(8)50)46(48(40,13)14)58-38(10)52/h15-28,43-46H,1-14H3/b16-15+,21-17+,22-18+,27-25+,28-26+,29-19+,30-20+,31-23+,32-24+/t43-,44-,45+,46+/m1/s1
InChIKey BVOMQQXROYALAT-GXOYVZCWSA-N
Molecular Weight 796.998 g/mol
SMILES C1(=C(C(=O)[C@]([C@@](C1(C)C)(OC(=O)C)[H])(OC(=O)C)[H])C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C(=O)[C@]([C@@](C1(C)C)(OC(=O)C)[H])(OC(=O)C)[H])C)C)C)C)C
SPLASH splash10-0fal-0050029000-8d6ef1553598b73e8076
Source of Spectrum H-62-2557-0
Synonyms (2R,2'R,3S,3'S)-2,2',3-tris(acetyloxy)-4,4'-dioxo-beta,.beta.-caroten-3'-yl acetate
Wiley ID 1417125