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12-Benzoyloxy-3-oxo-19-norpodocarpa-4,8,11,13-tetraen-2.alpha.-yl Acetate
SpectraBase Compound ID BKBnko62v7L
InChI InChI=1S/C25H24O5/c1-15-20-12-10-17-9-11-19(30-24(28)18-7-5-4-6-8-18)13-21(17)25(20,3)14-22(23(15)27)29-16(2)26/h4-9,11,13,22H,10,12,14H2,1-3H3/t22-,25+/m1/s1
InChIKey MWNYFANQKUXHEP-RDGATRHJSA-N
Mol Weight 404.46 g/mol
Molecular Formula C25H24O5
Exact Mass 404.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNLHK1z3frm
Name 12-Benzoyloxy-3-oxo-19-norpodocarpa-4,8,11,13-tetraen-2.alpha.-yl Acetate
Alternate Name(s) (4bS,6R)-6-(acetyloxy)-4b,8-dimethyl-7-oxo-4b,5,6,7,9,10-hexahydro-3-phenanthrenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O5
InChI InChI=1S/C25H24O5/c1-15-20-12-10-17-9-11-19(30-24(28)18-7-5-4-6-8-18)13-21(17)25(20,3)14-22(23(15)27)29-16(2)26/h4-9,11,13,22H,10,12,14H2,1-3H3/t22-,25+/m1/s1
InChIKey MWNYFANQKUXHEP-RDGATRHJSA-N
Molecular Weight 404.462 g/mol
SMILES [C@@]12(C(=C(C)C([C@@](C2)(OC(=O)C)[H])=O)CCc2c1cc(OC(=O)c1ccccc1)cc2)C
SPLASH splash10-0a6r-7901100000-4065a662197dcfb57880
Source of Spectrum B-44-834-9
Wiley ID 1371466