NP-MRD: Showing NP-Card for 2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate (NP0259406)

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Record Information

Version

2.0

Created at

2022-09-08 01:15:52 UTC

Updated at

2022-09-08 01:15:52 UTC

NP-MRD ID

NP0259406

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate

Description

Teraspiridole D_130092 belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on Teraspiridole D_130092.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082203152D          

 42 49  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309082203152D          

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   10.5791   -5.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7713   -5.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3989   -4.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0005   -5.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776   -4.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342   -5.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4129   -5.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349   -4.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150   -5.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154   -4.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9523   -3.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6710   -3.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2783   -3.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0997   -3.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6217   -3.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336   -4.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0536   -4.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664   -5.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591   -4.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -3.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6262   -3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696   -2.7184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8065   -1.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0563   -1.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252   -1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1975   -0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0170   -0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1325   -2.0631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891   -2.8132    0.0000 C   0  0  0  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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 35 42  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0259406

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1CC2C(C)(CCC(=O)OC2(C)C)C2CCC3(C)OC4(CC3C12C)C1NC2(CC2)C(=O)N1C1=CC=CC=C41

> <INCHI_IDENTIFIER>
InChI=1S/C34H44N2O6/c1-19(37)40-25-17-23-29(2,3)41-26(38)12-13-30(23,4)22-11-14-31(5)24(32(22,25)6)18-34(42-31)20-9-7-8-10-21(20)36-27(34)35-33(15-16-33)28(36)39/h7-10,22-25,27,35H,11-18H2,1-6H3

> <INCHI_KEY>
NYVFUDQEAURUPX-UHFFFAOYSA-N

> <FORMULA>
C34H44N2O6

> <MOLECULAR_WEIGHT>
576.734

> <EXACT_MASS>
576.319937145

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
63.6433140328237

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-3',9'a-dihydro-1'H-dispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadecane]-10''-yl acetate

> <JCHEM_LOGP>
4.046302227666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.623821920974031

> <JCHEM_POLAR_SURFACE_AREA>
94.16999999999999

> <JCHEM_REFRACTIVITY>
153.23640000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadecane]-10''-yl acetate

> <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      14.617  -1.591   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.509  -2.846   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      17.042  -2.701   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      14.868  -4.247   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      15.760  -5.502   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.293  -5.357   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.186  -6.612   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.680  -6.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      18.985  -4.866   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.865  -5.257   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      20.903  -7.177   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      20.933  -8.716   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      22.333  -9.357   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      19.748  -9.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.240  -9.386   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.545  -8.012   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.801  -9.361   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.012  -8.157   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      15.371  -9.558   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.837  -9.703   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.945  -8.447   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.161  -9.773   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.415  -8.271   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.111  -6.761   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.453  -6.005   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.586  -7.047   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.119  -6.902   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.227  -5.647   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.769  -7.517   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.433  -9.020   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.964  -9.481   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.830  -8.438   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.166  -6.935   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.636  -6.475   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       9.277  -5.074   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       8.972  -3.565   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       7.572  -2.924   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.314  -2.809   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.702  -1.395   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.232  -1.572   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      11.447  -3.851   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      10.806  -5.251   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   27                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15    7   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19   27                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   26                                             
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   29   42                                             
CONECT   25   24   26                                                       
CONECT   26   25   21   27                                                  
CONECT   27   26    5   18   28                                             
CONECT   28   27                                                            
CONECT   29   24   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29   35                                                  
CONECT   35   34   36   42                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40   41                                             
CONECT   39   38   40                                                       
CONECT   40   39   38                                                       
CONECT   41   38   42                                                       
CONECT   42   41   35   24                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₄N₂O₆

Average Mass

576.7340 Da

Monoisotopic Mass

576.31994 Da

IUPAC Name

2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-3',9'a-dihydro-1'H-dispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadecane]-10''-yl acetate

Traditional Name

2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadecane]-10''-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1CC2C(C)(CCC(=O)OC2(C)C)C2CCC3(C)OC4(CC3C12C)C1NC2(CC2)C(=O)N1C1=CC=CC=C41

InChI Identifier

InChI=1S/C34H44N2O6/c1-19(37)40-25-17-23-29(2,3)41-26(38)12-13-30(23,4)22-11-14-31(5)24(32(22,25)6)18-34(42-31)20-9-7-8-10-21(20)36-27(34)35-33(15-16-33)28(36)39/h7-10,22-25,27,35H,11-18H2,1-6H3

InChI Key

NYVFUDQEAURUPX-UHFFFAOYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthofurans

Sub Class

Not Available

Direct Parent

Naphthofurans

Alternative Parents

Substituents

Naphthofuran
Alpha-amino acid or derivatives
Indole or derivatives
Caprolactone
Oxepane
Dicarboxylic acid or derivatives
Imidazolidinone
Benzenoid
Imidazolidine
Tetrahydrofuran
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
Secondary amine
Oxacycle
Azacycle
Carboxylic acid derivative
Ether
Dialkyl ether
Secondary aliphatic amine
Organooxygen compound
Organopnictogen compound
Organic nitrogen compound
Organic oxide
Amine
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	4.05	ChemAxon
pKa (Strongest Basic)	4.62	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	94.17 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	153.24 m³·mol⁻¹	ChemAxon
Polarizability	63.64 Å³	ChemAxon
Number of Rings	8	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

133052585

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate (NP0259406)

MOL for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

3D MOL for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

3D SDF for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

3D-SDF for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

PDB for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

3D PDB for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

SMILES for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

INCHI for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

Structure for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)

3D Structure for NP0259406 (2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10''-yl acetate)