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(1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]cyclohex-4-ene-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]cyclohex-4-ene-1,3-diol
SpectraBase Compound ID DpeXn3TjEya
InChI InChI=1S/C26H42O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h8-10,15,18,21-24,27-29H,5-7,11-14,16-17H2,1-4H3/b10-9-/t18-,21-,22-,23-,24+,26-/m1/s1
InChIKey PSOPCTKNOIODDD-GTBJOIOPSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ill4Ey38zJH
Name (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]cyclohex-4-ene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h8-10,15,18,21-24,27-29H,5-7,11-14,16-17H2,1-4H3/b10-9-/t18-,21-,22-,23-,24+,26-/m1/s1
InChIKey PSOPCTKNOIODDD-GTBJOIOPSA-N
Molecular Weight 402.619 g/mol
SMILES O[C@]1(C[C@@](CC(=C1)\C=C/C=1[C@]2([C@@]([C@](CC2)([C@@](CCCC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-0a4l-9101000000-8fe2df6d3460a8bc4edd
Source of Spectrum AT-33-5448-3
Synonyms (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]cyclohex-4-ene-1,3-diol (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]cyclohex-4-ene-1,3-diol
Wiley ID 836404