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

View entire compound with spectra: 1 MS (GC)

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
SpectraBase Compound ID ps3yT8eUff
InChI InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-34,41-42,44-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40+/m0/s1
InChIKey LYYDEPKDTUIGFR-YNKJSWFTSA-N
Mol Weight 618.9 g/mol
Molecular Formula C40H58O5
Exact Mass 618.428425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CR0l1XOEXAA
Name (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]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 C40H58O5
InChI InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-34,41-42,44-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40+/m0/s1
InChIKey LYYDEPKDTUIGFR-YNKJSWFTSA-N
Molecular Weight 618.899 g/mol
SMILES O[C@@]1(C[C@]([C@](C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C([C@]1(C(C[C@@](C1)(O)[H])(C)C)C)=O)C)C)C)C)O)(O)C)[H]
SPLASH splash10-0536-6920000000-9c89b9b62e71d63979bf
Source of Spectrum H-81-1250-12
Synonyms (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]-1-nonadeca-2,4,6,8,10,12,14,16,18-nonaenone (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]-19-[(1R,4S,6R)-2,2,6-trimethyl-1,4,6-tris(oxidanyl)cyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Wiley ID 1411459