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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione (C19H28O3)

Natural Isotopic formula weight: 304.42382

View large 3D structure

bmse001169 Data

Entry STAR file: bmse001169.str
NMR-STAR interactive viewer
Time Domain Data: bmse001169.zip
BMRB Entry DOI: doi:10.13018/BMSE001169
Mol file: bmse001169.mol

solute:   100 mM 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
solvent:   100.0 % Acetone-d6
reference:   0.05 % TMS

Concentration and pH are given with spectrum
Spectrometer: Bruker Avance III - 500 MHz

Data Source: National Magnetic Resonance Facility at Madison - Maria . Nesterova ., Lawrence J. Clos II, Christopher . Stancic ., Mark E. Anderson ., John L. Markley ..

Experimental Data:

1D 1H

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D 1H, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_1.zip
View Spectral peak list

2D 1H-1H TOCSY

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-1H TOCSY, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_2.zip

1D 13C

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D 13C, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_3.zip
View Spectral peak list

1D DEPT90

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D DEPT90, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_4.zip
View Spectral peak list

1D DEPT135

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D DEPT135, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_5.zip
View Spectral peak list

2D 1H-13C HSQC

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-13C HSQC, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_6.zip
View Spectral peak list

2D 1H-13C HSQC SW small

Concentration: 100 mM
temperature: 298 K
pH: Unknown
Download data directory: bmse001169_7.zip

2D 1H-13C HMBC

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-13C HMBC, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_8.zip

2D 1H-1H COSY

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-1H COSY, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_9.zip

2D 1H-13C HSQC-TOCSY-ADIA

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-13C HSQC-TOCSY-ADIA, Unknown spectrum for 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
Download data directory: bmse001169_10.zip