NP-MRD: Showing NP-Card for (1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione (NP0233530)

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Record Information

Version

2.0

Created at

2022-09-06 15:10:03 UTC

Updated at

2022-09-06 15:10:03 UTC

NP-MRD ID

NP0233530

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione

Description

2-Oxostenine belongs to the class of organic compounds known as stenine-type alkaloids. These are alkaloids which can be structurally represented by the tetracyclic\nfuro[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one nucleus. (1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione is found in Stemona sessilifolia and Stemona tuberosa. Based on a literature review very few articles have been published on 2-Oxostenine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.1749    3.3506   -1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1753    2.7481   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    1.2286   -0.2435 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5859    0.7764    0.0631 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3847    0.8102   -1.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329   -0.3402   -1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066   -0.5669   -2.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -1.2590   -0.1036 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0068   -1.2616    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003   -0.7083    0.4722 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4248   -1.2862   -0.1874 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2418   -2.7549   -0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2439   -2.7983   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8215   -3.8166   -0.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -1.5313   -0.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1659   -1.2874   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8200   -0.2151    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0710    1.0777   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667    1.2946    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    0.5784    0.7823 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8119   -0.8681    0.6383 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0358    2.9516   -2.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    4.4356   -1.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    3.2674   -0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8182    3.1883   -0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708    3.0062    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    1.0458   -1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870    1.3240    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732   -2.2972   -0.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7089   -0.5544    1.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -0.9605    0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -2.2584    1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618   -0.7918    1.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337   -0.9336   -1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058   -3.3162   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -3.1440    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1178   -0.9266   -1.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954   -2.1959   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -0.4654    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8894   -0.1382    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8350    1.8842   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866    1.0686   -1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.9218    1.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9027    2.3595    1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059    0.7798    1.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707   -1.4210    1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20  3  1  0
 10  4  1  0
 21 11  1  0
 21 15  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  4 28  1  1
  8 29  1  6
  9 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  1
 11 34  1  6
 12 35  1  0
 12 36  1  0
 16 37  1  0
 16 38  1  0
 17 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 19 44  1  0
 20 45  1  1
 21 46  1  1
M  END


  Mrv1652309062217102D          

 21 24  0  0  1  0            999 V2000
    2.6547    3.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3558    2.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298    2.0977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0367    1.6724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8258    1.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2986    1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1235    1.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8017    0.5784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0424   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    0.8475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3000    0.4480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1139   -0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701    0.3325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968    1.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8927    2.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    1.6976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5931    0.8733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  8  1  6  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 21 15  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0233530

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2CC(=O)N3CCCC[C@H]1[C@H]23

> <INCHI_IDENTIFIER>
InChI=1S/C17H25NO3/c1-3-10-11-6-4-5-7-18-13(19)8-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1

> <INCHI_KEY>
HHVLDUXNKYSRDS-BKQRAYJDSA-N

> <FORMULA>
C17H25NO3

> <MOLECULAR_WEIGHT>
291.391

> <EXACT_MASS>
291.183443669

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
32.46703969113837

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0^{4,16}.0^{11,15}]hexadecane-3,13-dione

> <JCHEM_LOGP>
1.8291371426666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.07146579390490537

> <JCHEM_POLAR_SURFACE_AREA>
46.61000000000001

> <JCHEM_REFRACTIVITY>
77.87220000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0^{4,16}.0^{11,15}]hexadecane-3,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       4.955   6.267   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.264   5.455   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.216   3.916   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.535   3.122   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.008   3.571   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.891   2.309   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.430   2.281   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.963   1.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.413  -0.393   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.507   1.582   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.160   0.836   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.813  -0.664   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.278  -0.797   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.484  -2.117   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       3.678   0.621   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       2.163   0.900   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.438   2.259   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.047   3.673   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.533   4.078   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.776   3.169   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.840   1.630   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8    4   11                                                  
CONECT   11   10   12   21                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    3   21                                                  
CONECT   21   20   11   15                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₅NO₃

Average Mass

291.3910 Da

Monoisotopic Mass

291.18344 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2CC(=O)N3CCCC[C@H]1[C@H]23

InChI Identifier

InChI=1S/C17H25NO3/c1-3-10-11-6-4-5-7-18-13(19)8-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1

InChI Key

HHVLDUXNKYSRDS-BKQRAYJDSA-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
Stemona sessilifolia	LOTUS Database	35616633
Stemona tuberosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stenine-type alkaloids. These are alkaloids which can be structurally represented by the tetracyclic\nfuro[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one nucleus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Stemona alkaloids

Sub Class

Stenine-type alkaloids

Direct Parent

Stenine-type alkaloids

Alternative Parents

Substituents

Stenine backbone
Indole or derivatives
Azepane
Gamma butyrolactone
Pyrrolidone
2-pyrrolidone
N-alkylpyrrolidine
Tetrahydrofuran
Tertiary carboxylic acid amide
Pyrrolidine
Carboxylic acid ester
Lactam
Carboxamide group
Lactone
Oxacycle
Azacycle
Carboxylic acid derivative
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Carbonyl group
Organic oxide
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
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

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

31014608

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

56776320

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione (NP0233530)

MOL for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

3D MOL for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

3D SDF for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

3D-SDF for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

PDB for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

3D PDB for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

SMILES for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

INCHI for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

Structure for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)

3D Structure for NP0233530 ((1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione)