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(E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol

View entire compound with spectra: 2 MS (GC)

(E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol
SpectraBase Compound ID 2vuA2FHP2zM
InChI InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
InChIKey XFXHBQLETDDGGF-XUYZKQIISA-N
Mol Weight 705.1 g/mol
Molecular Formula C50H72O2
Exact Mass 704.553232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwXv8UPTIPs
Name (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol
CAS Registry Number 128806-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H72O2
InChI InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
InChIKey XFXHBQLETDDGGF-XUYZKQIISA-N
Molecular Weight 705.124 g/mol
SMILES OC\C(=C\C[C@@]1(C([C@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]2(C([C@@](C\C=C\(CO)C)(CCC2=C)[H])(C)C)[H])C)C)C)C)(C(CC1)=C)[H])(C)C)[H])C
SPLASH splash10-0006-9600000100-fae9874d3e3e0100e6c6
Source of Spectrum F-46-484-3
Synonyms (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(E)-4-hydroxy-3-methyl-but-2-enyl]-2,2-dimethyl-6-methylene-cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylene-cyclohexyl]-2-methyl-but-2-en-1-ol (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,2-dimethyl-6-methylenecyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylenecyclohexyl]-2-methyl-2-buten-1-ol (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,2-dimethyl-6-methylidenecyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidenecyclohexyl]-2-methylbut-2-en-1-ol
Wiley ID 1415173