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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 5z95GOKIw8K
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 396.527 g/mol
SMILES OC1CCC2(C(=CCC3C2CCC(C3CC(=O)O)(C(=O)c2ccccc2)C)C1)C
SPLASH splash10-0a6r-6942000000-a86a88047fb78ee1e948
Synonyms (2-Benzoyl-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenyl)acetic acid 2-(2-benzoyl-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl)acetic acid 2-[2,4b-dimethyl-7-oxidanyl-2-(phenylcarbonyl)-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl]ethanoic acid
Wiley ID 1480402