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(1'S*,6'S*)-4-(2,3-Dihydro-1H-inden-2-yl)-6-hydroxy-6'-isopropyl-3'-methyl-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione

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(1'S*,6'S*)-4-(2,3-Dihydro-1H-inden-2-yl)-6-hydroxy-6'-isopropyl-3'-methyl-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione
SpectraBase Compound ID AMyqvtXMHDO
InChI InChI=1S/C25H28O3/c1-14(2)19-9-8-15(3)10-21(19)23-22(26)13-20(24(27)25(23)28)18-11-16-6-4-5-7-17(16)12-18/h4-7,10,13-14,18-19,21,28H,8-9,11-12H2,1-3H3/t19-,21+/m0/s1
InChIKey ZGDBZMPZNNPJCE-PZJWPPBQSA-N
Mol Weight 376.5 g/mol
Molecular Formula C25H28O3
Exact Mass 376.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmIk5GmmwiL
Name (1'S*,6'S*)-4-(2,3-Dihydro-1H-inden-2-yl)-6-hydroxy-6'-isopropyl-3'-methyl-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione
Appearance Amber oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O3
InChI InChI=1S/C25H28O3/c1-14(2)19-9-8-15(3)10-21(19)23-22(26)13-20(24(27)25(23)28)18-11-16-6-4-5-7-17(16)12-18/h4-7,10,13-14,18-19,21,28H,8-9,11-12H2,1-3H3/t19-,21+/m0/s1
InChIKey ZGDBZMPZNNPJCE-PZJWPPBQSA-N
Instrument Name Fisons VG70-SE or Thermo Finnigan MAT900xp
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.201900548
Molecular Weight 376.496 g/mol
Reported Formula C25H28O3
SMILES OC=1C(C(=CC(C1[C@@]1(C=C(CC[C@]1(C(C)C)[H])C)[H])=O)C1Cc2c(C1)cccc2)=O
SPLASH splash10-014l-0952000000-ede37769f3c05d33035d
Source of Spectrum CMC-15-SM26-9e
Wiley ID 1839970