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(2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

View entire compound with spectra: 1 MS (GC)

(2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
SpectraBase Compound ID HwMUdkxzuky
InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-21,23,32-33,41-43,45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,34-23-/t22?,32-,33+,39+,40+/m0/s1
InChIKey WFHXPAQOVQBWGU-NDTACIKISA-N
Mol Weight 616.9 g/mol
Molecular Formula C40H56O5
Exact Mass 616.412775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IV0ns8BpVhi
Name (2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O5
InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-21,23,32-33,41-43,45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,34-23-/t22?,32-,33+,39+,40+/m0/s1
InChIKey WFHXPAQOVQBWGU-NDTACIKISA-N
Molecular Weight 616.883 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=C=C2[C@@](C[C@](CC2(C)C)(O)[H])(O)C)C)C)C)C)O)=O)(C1)C)(C)C)[H]
SPLASH splash10-0a6s-3910022000-409a0d696ad599555969
Source of Spectrum G4-64-581-5
Synonyms (2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16,18-nonaenone (2Z,4E,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4S,6R)-2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]-1-[(1S,4R)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Wiley ID 1608967