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12-Benzoyloxy-7-oxo-18-norpodocarpa-8,11,13-trien-4.alpha.-yl Acetate
SpectraBase Compound ID IyNe65HxK2w
InChI InChI=1S/C25H26O5/c1-16(26)30-25(3)13-7-12-24(2)20-14-18(10-11-19(20)21(27)15-22(24)25)29-23(28)17-8-5-4-6-9-17/h4-6,8-11,14,22H,7,12-13,15H2,1-3H3/t22?,24-,25-/m1/s1
InChIKey NGTSXQVYEHPPAC-QJBRXVLMSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3PKWgJmzdO
Name 12-Benzoyloxy-7-oxo-18-norpodocarpa-8,11,13-trien-4.alpha.-yl Acetate
Alternate Name(s) (4bS,8R)-8-(acetyloxy)-4b,8-dimethyl-10-oxo-4b,5,6,7,8,8a,9,10-octahydro-3-phenanthrenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-16(26)30-25(3)13-7-12-24(2)20-14-18(10-11-19(20)21(27)15-22(24)25)29-23(28)17-8-5-4-6-9-17/h4-6,8-11,14,22H,7,12-13,15H2,1-3H3/t22?,24-,25-/m1/s1
InChIKey NGTSXQVYEHPPAC-QJBRXVLMSA-N
Molecular Weight 406.478 g/mol
SMILES [C@]12(c3c(ccc(OC(=O)c4ccccc4)c3)C(CC1[C@@](OC(=O)C)(C)CCC2)=O)C
SPLASH splash10-0a4i-0901000000-8ca78eb69b8b868974c7
Source of Spectrum B-44-834-50
Wiley ID 1372320