For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl (1R,4aR,10aR)-6-Benzamido-1,4a-dimethyl-7-nitro-1,2,3,4,4a.9,10,10a-octahydrophenanthrene-1-carboxylate
SpectraBase Compound ID HQPPZmSFNpm
InChI InChI=1S/C25H28N2O5/c1-24-12-7-13-25(2,23(29)32-3)21(24)11-10-17-14-20(27(30)31)19(15-18(17)24)26-22(28)16-8-5-4-6-9-16/h4-6,8-9,14-15,21H,7,10-13H2,1-3H3,(H,26,28)/t21-,24+,25-/m1/s1
InChIKey OZWPSHPXFCEQNX-IEZKXTBUSA-N
Mol Weight 436.51 g/mol
Molecular Formula C25H28N2O5
Exact Mass 436.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EUcz5bASlqV
Name Methyl (1R,4aR,10aR)-6-Benzamido-1,4a-dimethyl-7-nitro-1,2,3,4,4a.9,10,10a-octahydrophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O5
InChI InChI=1S/C25H28N2O5/c1-24-12-7-13-25(2,23(29)32-3)21(24)11-10-17-14-20(27(30)31)19(15-18(17)24)26-22(28)16-8-5-4-6-9-16/h4-6,8-9,14-15,21H,7,10-13H2,1-3H3,(H,26,28)/t21-,24+,25-/m1/s1
InChIKey OZWPSHPXFCEQNX-IEZKXTBUSA-N
Molecular Weight 436.508 g/mol
SMILES N(c1c(N(=O)=O)cc2c([C@@]3(CCC[C@]([C@@]3(CC2)[H])(C(=O)OC)C)C)c1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0903000000-58d74cd8c244dd3db7b8
Source of Spectrum KC-57-1797-6
Synonyms Methyl (4beta,10alpha)-12-(benzoylamino)-13-nitropodocarpa-8,11,13-trien-15-oate
Wiley ID 1623106