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.beta.,.beta.-Carotene-3,3',4,4'-tetrol, tetraacetate
SpectraBase Compound ID JCUCY0JO9NY
InChI InChI=1S/C48H64O8/c1-31(21-17-23-33(3)25-27-41-35(5)29-43(53-37(7)49)45(47(41,11)12)55-39(9)51)19-15-16-20-32(2)22-18-24-34(4)26-28-42-36(6)30-44(54-38(8)50)46(48(42,13)14)56-40(10)52/h15-28,43-46H,29-30H2,1-14H3/b16-15+,21-17+,22-18+,27-25+,28-26+,31-19+,32-20+,33-23+,34-24+
InChIKey JBFUBEGKRUQZPQ-HNEYHVIBSA-N
Mol Weight 769.0 g/mol
Molecular Formula C48H64O8
Exact Mass 768.460119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBol1Ipzdas
Name .beta.,.beta.-Carotene-3,3',4,4'-tetrol, tetraacetate
Alternate Name(s) 2,2',3-tris(acetyloxy)-beta,.beta.-caroten-3'-yl acetate Crustaxanthin tetraacetate
CAS Registry Number 55528-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H64O8
InChI InChI=1S/C48H64O8/c1-31(21-17-23-33(3)25-27-41-35(5)29-43(53-37(7)49)45(47(41,11)12)55-39(9)51)19-15-16-20-32(2)22-18-24-34(4)26-28-42-36(6)30-44(54-38(8)50)46(48(42,13)14)56-40(10)52/h15-28,43-46H,29-30H2,1-14H3/b16-15+,21-17+,22-18+,27-25+,28-26+,31-19+,32-20+,33-23+,34-24+
InChIKey JBFUBEGKRUQZPQ-HNEYHVIBSA-N
Molecular Weight 769.032 g/mol
SMILES C=1(C(C(OC(=O)C)C(CC1C)OC(=O)C)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=1C(C(OC(=O)C)C(CC1C)OC(=O)C)(C)C)C)C)C)C
SPLASH splash10-014l-6900001700-44b0e694682bad326699
Source of Spectrum H-58-201-2
Wiley ID 1416689