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(-)-(1S,4bR,8aS,10aS)-4b,8,8,10a-Tetramethyl-3,7-dioxo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl ethanoate

View entire compound with spectra: 1 MS (GC)

(-)-(1S,4bR,8aS,10aS)-4b,8,8,10a-Tetramethyl-3,7-dioxo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl ethanoate
SpectraBase Compound ID HzFstrg2DCj
InChI InChI=1S/C20H28O4/c1-12(21)24-17-11-13(22)10-15-19(4)9-7-16(23)18(2,3)14(19)6-8-20(15,17)5/h10,14,17H,6-9,11H2,1-5H3/t14-,17+,19-,20+/m1/s1
InChIKey JBADCYMDOMPYIC-FPWFTKFVSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Le2Ofa76LnA
Name (-)-(1S,4bR,8aS,10aS)-4b,8,8,10a-Tetramethyl-3,7-dioxo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl ethanoate
Appearance Amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12(21)24-17-11-13(22)10-15-19(4)9-7-16(23)18(2,3)14(19)6-8-20(15,17)5/h10,14,17H,6-9,11H2,1-5H3/t14-,17+,19-,20+/m1/s1
InChIKey JBADCYMDOMPYIC-FPWFTKFVSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 332.440 g/mol
Optical Rotation [a]D26 = -40o (c = 0.53, CHCl3)
Reported Formula C20H28O4
SMILES C1C(C([C@@]2([C@@](C1)(C=1[C@](CC2)([C@](CC(C1)=O)(OC(C)=O)[H])C)C)[H])(C)C)=O
SPLASH splash10-006t-0591000000-c2b29a5fcbacbed3313c
Source of Spectrum AF-54-SM20-(-)-111
Wiley ID 1848747