NP-MRD: Showing NP-Card for Nicansteroidin A (NP0044710)

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Record Information

Version

2.0

Created at

2022-02-24 21:13:06 UTC

Updated at

2022-02-24 21:13:06 UTC

NP-MRD ID

NP0044710

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Nicansteroidin A

Description

Nicansteroidin a belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. Thus, nicansteroidin a is considered to be a sterol. Based on a literature review very few articles have been published on Nicansteroidin a.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652302242222132D          

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M  END

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M  END


  Mrv1652302242222132D          

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    6.5944    3.1252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    3.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3429    4.5318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5301    4.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3409    5.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550    4.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4353    5.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6868    4.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4989    4.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4065    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
  2 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  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
  2 28  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  1  0  0  0
 20 30  1  6  0  0  0
 30 31  1  1  0  0  0
 32 30  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  1  0  0  0
 34 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 32 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044710

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@H]3O[C@]33CC=CC(=O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@](O)(C[C@H](OC(C)=O)[C@]21O)[C@H](C)[C@H]1C[C@@](C)(O)C(=C)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O9/c1-15(20-13-25(4,34)16(2)24(33)38-20)28(35)14-23(37-17(3)31)30(36)19-12-22-29(39-22)10-7-8-21(32)27(29,6)18(19)9-11-26(28,30)5/h7-8,15,18-20,22-23,34-36H,2,9-14H2,1,3-6H3/t15-,18+,19-,20-,22-,23+,25-,26-,27+,28-,29-,30-/m1/s1

> <INCHI_KEY>
VBZHDYQJWVIEHS-HTDSCEMCSA-N

> <FORMULA>
C30H40O9

> <MOLECULAR_WEIGHT>
544.641

> <EXACT_MASS>
544.267232868

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
57.233265551612206

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,7S,9R,11R,12S,13S,15R,16R)-12,15-dihydroxy-15-[(1R)-1-[(2R,4R)-4-hydroxy-4-methyl-5-methylidene-6-oxooxan-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate

> <ALOGPS_LOGP>
1.79

> <JCHEM_LOGP>
1.6676241363333335

> <ALOGPS_LOGS>
-3.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.787225787175576

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.063995360146777

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1999452551966785

> <JCHEM_POLAR_SURFACE_AREA>
142.89

> <JCHEM_REFRACTIVITY>
138.3179

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,7S,9R,11R,12S,13S,15R,16R)-12,15-dihydroxy-15-[(1R)-1-[(2R,4R)-4-hydroxy-4-methyl-5-methylidene-6-oxooxan-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-22         0                                  
HETATM    1  H   UNK     0       7.215   3.893   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       6.692   2.445   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.169   0.996   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.653   0.725   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.137   0.454   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.660   1.903   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.144   1.632   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.151   2.809   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.675   4.257   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.191   4.528   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.714   5.977   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.183   3.351   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.707   4.799   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.699   3.622   0.000  0.00  0.00           C+0
HETATM   15  H   UNK     0       5.176   2.174   0.000  0.00  0.00           H+0
HETATM   16  C   UNK     0       6.222   5.071   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.738   5.342   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.731   4.164   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.403   5.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.270   4.114   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.159   5.650   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.698   2.635   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.424   1.771   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.374   0.232   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.682  -0.581   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.040   0.145   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.632  -2.121   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.208   2.716   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.839   1.221   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      11.786   4.385   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.779   3.208   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.310   5.834   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.317   7.011   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.840   8.459   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.323   8.723   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      11.836   9.999   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      13.356   8.730   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.879  10.179   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.349   7.553   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      15.865   7.824   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      13.826   6.105   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   14   28                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4    6                                                       
CONECT    6    5    4    7   12                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    6   13   14                                             
CONECT   13   12                                                            
CONECT   14   12    2   15   16                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   28                                             
CONECT   19   18                                                            
CONECT   20   18   21   22   30                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23    2   18   29                                             
CONECT   29   28                                                            
CONECT   30   20   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   41                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   32                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₀O₉

Average Mass

544.6410 Da

Monoisotopic Mass

544.26723 Da

IUPAC Name

(1S,2R,7S,9R,11R,12S,13S,15R,16R)-12,15-dihydroxy-15-[(1R)-1-[(2R,4R)-4-hydroxy-4-methyl-5-methylidene-6-oxooxan-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@H]3O[C@]33CC=CC(=O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@](O)(C[C@H](OC(C)=O)[C@]21O)[C@H](C)[C@H]1C[C@@](C)(O)C(=C)C(=O)O1

InChI Identifier

InChI=1S/C30H40O9/c1-15(20-13-25(4,34)16(2)24(33)38-20)28(35)14-23(37-17(3)31)30(36)19-12-22-29(39-22)10-7-8-21(32)27(29,6)18(19)9-11-26(28,30)5/h7-8,15,18-20,22-23,34-36H,2,9-14H2,1,3-6H3/t15-,18+,19-,20-,22-,23+,25-,26-,27+,28-,29-,30-/m1/s1

InChI Key

VBZHDYQJWVIEHS-HTDSCEMCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Physalis nicandroides	Linington's dataset npmrd_submissions_20220207	34549952

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Steroid lactones

Alternative Parents

Substituents

Steroid lactone
Pregnane-skeleton
Steroid ester
5,6-epoxysteroid
Cyclohexenone
Oxepane
Delta_valerolactone
Delta valerolactone
Oxane
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Cyclic alcohol
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	1.79	ALOGPS
logP	1.67	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	13.06	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	142.89 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	138.32 m³·mol⁻¹	ChemAxon
Polarizability	57.23 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Nicansteroidin A (NP0044710)

MOL for NP0044710 (Nicansteroidin A)

3D MOL for NP0044710 (Nicansteroidin A)

3D SDF for NP0044710 (Nicansteroidin A)

3D-SDF for NP0044710 (Nicansteroidin A)

PDB for NP0044710 (Nicansteroidin A)

3D PDB for NP0044710 (Nicansteroidin A)

SMILES for NP0044710 (Nicansteroidin A)

INCHI for NP0044710 (Nicansteroidin A)

Structure for NP0044710 (Nicansteroidin A)

3D Structure for NP0044710 (Nicansteroidin A)