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.psi.,.psi.-Carotene, 1,1',3,3',4,4',16,16'-octadehydro-1,1',2,2'-tetrahydro-2,2'-bis(3-methyl-2-butenyl)-, (2S,2'S)-
SpectraBase Compound ID A6GDP811qJF
InChI InChI=1S/C50H68/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-34,37-38,49-50H,5,7,35-36H2,1-4,6,8-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+
InChIKey DXCUPESEKVNYGW-MAEQUWTESA-N
Mol Weight 669.1 g/mol
Molecular Formula C50H68
Exact Mass 668.532102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N52FD7O4o7
Name .psi.,.psi.-Carotene, 1,1',3,3',4,4',16,16'-octadehydro-1,1',2,2'-tetrahydro-2,2'-bis(3-methyl-2-butenyl)-, (2S,2'S)-
CAS Registry Number 30627-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H68
InChI InChI=1S/C50H68/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-34,37-38,49-50H,5,7,35-36H2,1-4,6,8-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+
InChIKey DXCUPESEKVNYGW-MAEQUWTESA-N
Molecular Weight 669.094 g/mol
SMILES 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\C(C(=C)C)CC=C(C)C)C)C)C)C)C)C)(C(=C)C)CC=C(C)C
SPLASH splash10-02tc-9000045000-5d93cc1298b9434b0478
Source of Spectrum SB-33-557-0
Synonyms (2S,2'S)-Tetraanhydrobecterioruberin (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene 2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-Hexatriacontapentadecaene, 5,32-diisopropenyl-2,8,12,16,21,25,29,35-octamethyl-, (all-E)- Semisynthetic tetraanhydrobacterioruberin (method a) Tetraanhydrobacterioruberin
Wiley ID 1413882