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(4aS)-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-quinone
SpectraBase Compound ID Gk9kDD7xdOf
InChI InChI=1S/C20H26O2/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(3,4)18(22)8-9-20(15,17)5/h6-7,10,12,17H,8-9,11H2,1-5H3/t17?,20-/m1/s1
InChIKey RELOVHBDDSYXLX-UUSAFJCLSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43t1jKxoowi
Name Margocin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(3,4)18(22)8-9-20(15,17)5/h6-7,10,12,17H,8-9,11H2,1-5H3/t17?,20-/m1/s1
InChIKey RELOVHBDDSYXLX-UUSAFJCLSA-N
Molecular Weight 298.426 g/mol
SMILES [C@@]12(C(C(C)(C)C(CC2)=O)CC(c2c1ccc(C(C)C)c2)=O)C
SPLASH splash10-004i-0960000000-006ebb9a498586f6f97c
Source of Spectrum X2-56-1466-24
Synonyms (4aS)-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione (4aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
Wiley ID 1605069