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(2R,3R)-2,3-Diacetoxy-.beta.,.beta.-carotene
SpectraBase Compound ID Lln9Do8UkzO
InChI InChI=1S/C44H60O4/c1-31(20-15-22-33(3)25-27-39-35(5)24-17-29-43(39,9)10)18-13-14-19-32(2)21-16-23-34(4)26-28-40-36(6)30-41(47-37(7)45)42(44(40,11)12)48-38(8)46/h13-16,18-23,25-28,41-42H,17,24,29-30H2,1-12H3/b14-13+,20-15+,21-16+,27-25+,28-26+,31-18+,32-19+,33-22+,34-23+/t41-,42+/m1/s1
InChIKey RVLGGSWOTCPIPS-JSQFFZECSA-N
Mol Weight 653.0 g/mol
Molecular Formula C44H60O4
Exact Mass 652.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QXj4VdWkzx
Name (2R,3R)-2,3-Diacetoxy-.beta.,.beta.-carotene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H60O4
InChI InChI=1S/C44H60O4/c1-31(20-15-22-33(3)25-27-39-35(5)24-17-29-43(39,9)10)18-13-14-19-32(2)21-16-23-34(4)26-28-40-36(6)30-41(47-37(7)45)42(44(40,11)12)48-38(8)46/h13-16,18-23,25-28,41-42H,17,24,29-30H2,1-12H3/b14-13+,20-15+,21-16+,27-25+,28-26+,31-18+,32-19+,33-22+,34-23+/t41-,42+/m1/s1
InChIKey RVLGGSWOTCPIPS-JSQFFZECSA-N
Molecular Weight 652.960 g/mol
SMILES C=1(C([C@@](OC(=O)C)([C@@](CC1C)(OC(=O)C)[H])[H])(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C)C
SPLASH splash10-0udi-0000019000-ffbd40b1cfc703daab73
Source of Spectrum H-62-2556-0
Synonyms (1R,6R)-6-(acetyloxy)-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-3-cyclohexen-1-yl acetate
Wiley ID 1413246