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(2-Benzoyl-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl)acetic acid
SpectraBase Compound ID HK4qoBJP43p
InChI InChI=1S/C25H32O4/c1-24-12-10-18(26)14-17(24)8-9-19-20(24)11-13-25(2,21(19)15-22(27)28)23(29)16-6-4-3-5-7-16/h3-8,18-21,26H,9-15H2,1-2H3,(H,27,28)
InChIKey JVCSQDLHVZXYSS-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96DxBlWSR15
Name (2-BENZOYL-7-HYDROXY-2,4B-DIMETHYL-1,2,3,4,4A,4B,5,6,7,8,10,10A-DODECAHYDROPHENANTHREN-1-YL)ACETIC ACID
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Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-24-12-10-18(26)14-17(24)8-9-19-20(24)11-13-25(2,21(19)15-22(27)28)23(29)16-6-4-3-5-7-16/h3-8,18-21,26H,9-15H2,1-2H3,(H,27,28)
InChIKey JVCSQDLHVZXYSS-UHFFFAOYSA-N
Molecular Weight 396.2292
SMILES OC1CC2=CCC3C(CC(O)=O)C(CCC3C2(CC1)C)(C)C(c1ccccc1)=O
SPLASH splash10-0a6r-6942000000-bf469d1824684838e5d9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany