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4'-Apo-.beta.,.psi.-carotenoic acid, methyl ester
SpectraBase Compound ID 1ZV46ZgQaSo
InChI InChI=1S/C36H48O2/c1-28(18-12-20-30(3)22-14-23-33(6)35(37)38-9)16-10-11-17-29(2)19-13-21-31(4)25-26-34-32(5)24-15-27-36(34,7)8/h10-14,16-23,25-26H,15,24,27H2,1-9H3/b11-10+,18-12+,19-13+,22-14+,26-25+,28-16+,29-17+,30-20+,31-21+,33-23+
InChIKey CXZXVEIFQBEHTM-HHOXJLNZSA-N
Mol Weight 512.8 g/mol
Molecular Formula C36H48O2
Exact Mass 512.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nvLuipqH33
Name 4'-Apo-.beta.,.psi.-carotenoic acid, methyl ester
Alternate Name(s) Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoate (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexenyl)heneicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid methyl ester (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)heneicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid methyl ester 4'-Apo-.gamma.-carotenoic acid, methyl ester, all-trans- Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate Methyl ester of neurosporaxanthin Neurosporaxanthin methyl ester
CAS Registry Number 5389-78-6
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Formula C36H48O2
InChI InChI=1S/C36H48O2/c1-28(18-12-20-30(3)22-14-23-33(6)35(37)38-9)16-10-11-17-29(2)19-13-21-31(4)25-26-34-32(5)24-15-27-36(34,7)8/h10-14,16-23,25-26H,15,24,27H2,1-9H3/b11-10+,18-12+,19-13+,22-14+,26-25+,28-16+,29-17+,30-20+,31-21+,33-23+
InChIKey CXZXVEIFQBEHTM-HHOXJLNZSA-N
Molecular Weight 512.778 g/mol
SMILES COC(=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=C\C1=C(C)CCCC1(C)C
SPLASH splash10-03di-4921170000-f51b7ab2d868014ab6bf
Source of Spectrum JZ-1992-2997-0
Wiley ID 1400927