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(2Z,4E,6E,8E,10E,12E,14E,16Z)-3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16-octaen-18-ynone

View entire compound with spectra: 1 MS (GC)

(2Z,4E,6E,8E,10E,12E,14E,16Z)-3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16-octaen-18-ynone
SpectraBase Compound ID 1lzOOX5eWlL
InChI InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18-,31-20+,36-24-/t33-,34+,40+/m1/s1
InChIKey WSLGBPCJDUQFND-XSGAZGRVSA-N
Mol Weight 598.9 g/mol
Molecular Formula C40H54O4
Exact Mass 598.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CjGZKuL4eC
Name (2Z,4E,6E,8E,10E,12E,14E,16Z)-3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16-octaen-18-ynone
Alternate Name(s) (2Z,4E,6E,8E,10E,12E,14E,16Z)-3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one (2Z,4E,6E,8E,10E,12E,14E,16Z)-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one
CAS Registry Number 121839-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O4
InChI InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18-,31-20+,36-24-/t33-,34+,40+/m1/s1
InChIKey WSLGBPCJDUQFND-XSGAZGRVSA-N
Molecular Weight 598.868 g/mol
SMILES O[C@]1(CC([C@](C(\C=C/(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C/(C#CC2=C(C[C@](CC2(C)C)(O)[H])C)C)C)C)C)O)=O)(C1)C)(C)C)[H]
SPLASH splash10-0006-8900010000-86adb26baec61f583bbc
Source of Spectrum KC-1988-1388-31
Wiley ID 1410018