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2,4,6,8,10,12,14,16-Heptadecaoctaen-1-ol, 2-[4,8-dimethyl-10-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-1,3,5,7,9- decapentaenyl]-7,11,15-trimethyl-17-(2,5,6,6-tetramethyl-2-cyclohexen -1-yl)-, acetate, stereoisomer
SpectraBase Compound ID 63GKUIpfCPh
InChI InChI=1S/C54H74O2/c1-40(22-17-23-41(2)24-18-26-43(4)31-37-51-45(6)33-35-47(8)53(51,11)12)21-15-16-29-50(39-56-49(10)55)30-20-28-42(3)25-19-27-44(5)32-38-52-46(7)34-36-48(9)54(52,13)14/h15-34,37-38,47-48,51-52H,35-36,39H2,1-14H3/b16-15+,22-17+,24-18+,25-19+,30-20+,37-31+,38-32+,40-21+,41-23+,42-28+,43-26+,44-27+,50-29+
InChIKey KDWNTVGQLMYXND-JXXAXKGXSA-N
Mol Weight 755.2 g/mol
Molecular Formula C54H74O2
Exact Mass 754.568882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AQQD20HjcX
Name 2,4,6,8,10,12,14,16-Heptadecaoctaen-1-ol, 2-[4,8-dimethyl-10-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-1,3,5,7,9- decapentaenyl]-7,11,15-trimethyl-17-(2,5,6,6-tetramethyl-2-cyclohexen -1-yl)-, acetate, stereoisomer
Alternate Name(s) (2E,4E,6E,8E,10E,12E,14E,16E)-2-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-1,3,5,7,9-decapentaenyl]-7,11,15-trimethyl-17-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-2,4,6,8,10,12,14,16-heptadecaoctaenyl acetate (2R,6R,2'R,6'R)-25-acetoxy-2,2'-dimethyl-decapreno-.epsilon.,.epsilon.-Carotene
CAS Registry Number 64354-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H74O2
InChI InChI=1S/C54H74O2/c1-40(22-17-23-41(2)24-18-26-43(4)31-37-51-45(6)33-35-47(8)53(51,11)12)21-15-16-29-50(39-56-49(10)55)30-20-28-42(3)25-19-27-44(5)32-38-52-46(7)34-36-48(9)54(52,13)14/h15-34,37-38,47-48,51-52H,35-36,39H2,1-14H3/b16-15+,22-17+,24-18+,25-19+,30-20+,37-31+,38-32+,40-21+,41-23+,42-28+,43-26+,44-27+,50-29+
InChIKey KDWNTVGQLMYXND-JXXAXKGXSA-N
Molecular Weight 755.184 g/mol
SMILES C1(C(C(C)CC=C1C)(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\C1C(C(C)CC=C1C)(C)C)C)C)COC(=O)C)C)C)C
SPLASH splash10-0f7c-0900047500-8ce091c32fd3c3cf5276
Source of Spectrum F-33-383-0
Wiley ID 1416421