NP-MRD: Showing NP-Card for n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid (NP0257748)

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Record Information

Version

2.0

Created at

2022-09-07 22:57:35 UTC

Updated at

2022-09-07 22:57:35 UTC

NP-MRD ID

NP0257748

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid

Description

Hookerianamide B belongs to the class of organic compounds known as 16-oxosteroids. These are steroid derivatives carrying a C=O group at the 16-position of the steroid skeleton. n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid is found in Sarcococca hookeriana. Based on a literature review very few articles have been published on Hookerianamide B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082200572D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082200572D          

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    4.3228   -0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -2.2576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3340   -2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.5084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2939   -0.8571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9830   -0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111   -0.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220   -1.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  8  9  1  4  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
 19 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 36 35  1  1  0  0  0
  5 36  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0257748

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](N=C(O)C=C(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H50N2O4/c1-17(2)15-26(35)31-27-25(34)16-30(6)23-13-14-29(5)21(18(3)32(7)8)11-12-22(29)20(23)9-10-24(30)28(27)36-19(4)33/h15,18,20-25,27-28,34H,9-14,16H2,1-8H3,(H,31,35)/t18-,20-,21+,22-,23-,24-,25+,27-,28+,29+,30+/m0/s1

> <INCHI_KEY>
ULFWADYQFIMRGR-RKLHGJGNSA-N

> <FORMULA>
C30H50N2O4

> <MOLECULAR_WEIGHT>
502.74

> <EXACT_MASS>
502.377058098

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
59.724059471222134

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(1S,2R,4R,5S,6R,7R,10S,11S,14S,15S)-6-(acetyloxy)-14-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]-3-methylbut-2-enimidic acid

> <JCHEM_LOGP>
2.062327002754078

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.498433220929925

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.42128709830618

> <JCHEM_PKA_STRONGEST_BASIC>
10.300326852721664

> <JCHEM_POLAR_SURFACE_AREA>
82.36

> <JCHEM_REFRACTIVITY>
143.68529999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(1S,2R,4R,5S,6R,7R,10S,11S,14S,15S)-6-(acetyloxy)-14-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]-3-methylbut-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       0.757  -9.372   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.280  -7.924   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.796  -7.653   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       0.287  -6.747   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.810  -5.298   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.182  -4.121   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -1.698  -4.392   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -2.691  -3.215   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.168  -1.766   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.207  -3.486   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.200  -2.309   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.716  -2.580   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.676  -0.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.341  -2.673   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.652  -1.495   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.857  -2.402   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.850  -3.579   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.373  -2.131   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.366  -3.308   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.889  -1.859   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.405  -1.588   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.398  -2.766   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.069  -1.380   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.874  -4.214   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.090  -5.159   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.365  -4.295   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.937  -2.816   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.882  -1.600   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.302  -0.173   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      11.407  -1.811   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      12.353  -0.595   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.988  -3.237   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.358  -4.485   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.835  -5.934   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.319  -6.205   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.326  -5.027   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   36                                                  
CONECT    6    5    7   14                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    6   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19   36                                             
CONECT   18   17                                                            
CONECT   19   17   20   33                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   27                                             
CONECT   23   22                                                            
CONECT   24   22   25   33                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   24   19   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35    5   17                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₀N₂O₄

Average Mass

502.7400 Da

Monoisotopic Mass

502.37706 Da

IUPAC Name

N-[(1S,2R,4R,5S,6R,7R,10S,11S,14S,15S)-6-(acetyloxy)-14-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]-3-methylbut-2-enimidic acid

Traditional Name

N-[(1S,2R,4R,5S,6R,7R,10S,11S,14S,15S)-6-(acetyloxy)-14-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]-3-methylbut-2-enimidic acid

CAS Registry Number

Not Available

SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](N=C(O)C=C(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C

InChI Identifier

InChI=1S/C30H50N2O4/c1-17(2)15-26(35)31-27-25(34)16-30(6)23-13-14-29(5)21(18(3)32(7)8)11-12-22(29)20(23)9-10-24(30)28(27)36-19(4)33/h15,18,20-25,27-28,34H,9-14,16H2,1-8H3,(H,31,35)/t18-,20-,21+,22-,23-,24-,25+,27-,28+,29+,30+/m0/s1

InChI Key

ULFWADYQFIMRGR-RKLHGJGNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sarcococca hookeriana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 16-oxosteroids. These are steroid derivatives carrying a C=O group at the 16-position of the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Oxosteroids

Direct Parent

16-oxosteroids

Alternative Parents

Substituents

22-azasteroid
Pregnane-skeleton
Steroid ester
Steroidal alkaloid
Pregnane-type alkaloid
12-beta-hydroxysteroid
16-oxosteroid
Hydroxysteroid
2-hydroxysteroid
12-hydroxysteroid
Azasteroid
Alkaloid or derivatives
N-acyl-amine
Cyclic alcohol
Tertiary aliphatic amine
Tertiary amine
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid ester
Carboxamide group
Amino acid or derivatives
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.06	ChemAxon
pKa (Strongest Acidic)	6.42	ChemAxon
pKa (Strongest Basic)	10.3	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	82.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	143.69 m³·mol⁻¹	ChemAxon
Polarizability	59.72 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9584378

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11409483

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid (NP0257748)

MOL for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

3D MOL for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

3D SDF for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

3D-SDF for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

PDB for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

3D PDB for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

SMILES for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

INCHI for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

Structure for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)

3D Structure for NP0257748 (n-[(1s,3as,3bs,5ar,6r,7s,8r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid)