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(+-)-cis-9,10-Dihydroxy-9,10-dihydro-1,3-dibutyl-7-methylbenzo[c]phenanthrene

View entire compound with spectra: 1 MS (GC)

(+-)-cis-9,10-Dihydroxy-9,10-dihydro-1,3-dibutyl-7-methylbenzo[c]phenanthrene
SpectraBase Compound ID Lnl2RU1sHyW
InChI InChI=1S/C27H32O2/c1-4-6-10-18-15-20(11-7-5-2)24-22(16-18)26(28)27(29)23-17(3)14-19-12-8-9-13-21(19)25(23)24/h8-9,12-16,26-29H,4-7,10-11H2,1-3H3/t26-,27+/m1/s1
InChIKey GFDRWFYPVWBXLE-SXOMAYOGSA-N
Mol Weight 388.6 g/mol
Molecular Formula C27H32O2
Exact Mass 388.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fBxKr61c3V
Name (+-)-cis-9,10-Dihydroxy-9,10-dihydro-1,3-dibutyl-7-methylbenzo[c]phenanthrene
Alternate Name(s) (3S,4R)-10,12-dibutyl-6-methyl-3,4-dihydrobenzo[c]phenanthrene-3,4-diol (5R,6S)-1,3-Dibutyl-7-methyl-5,6-dihydro-benzo[c]phenanthrene-5,6-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O2
InChI InChI=1S/C27H32O2/c1-4-6-10-18-15-20(11-7-5-2)24-22(16-18)26(28)27(29)23-17(3)14-19-12-8-9-13-21(19)25(23)24/h8-9,12-16,26-29H,4-7,10-11H2,1-3H3/t26-,27+/m1/s1
InChIKey GFDRWFYPVWBXLE-SXOMAYOGSA-N
Molecular Weight 388.551 g/mol
SMILES O[C@]1([C@](c2c(-c3c1cc(cc3CCCC)CCCC)c1c(cc2C)cccc1)(O)[H])[H]
SPLASH splash10-000i-0009000000-83cc5e799388517abc69
Source of Spectrum QC-4-450-15
Wiley ID 883202