NP-MRD: Showing NP-Card for 9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione (NP0179962)

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Record Information

Version

2.0

Created at

2022-09-03 18:14:54 UTC

Updated at

2022-09-03 18:14:54 UTC

NP-MRD ID

NP0179962

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione

Description

AC1MZTWV belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. 9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione is found in Penicillium cyclopium. AC1MZTWV is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 04121512072D          

 34 39  0  0  0  0            999 V2000
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   -1.0649   -1.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017   -0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019    0.8219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4307    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1611   -0.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -0.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  6 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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  8 28  1  0  0  0  0
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
  3 34  1  0  0  0  0
  7 34  2  0  0  0  0
M  CHG  2  25   1  27  -1
M  END

     RDKit          3D

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   -4.6159   -2.3490   -0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2549   -3.0338   -2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -2.3882   -3.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7952   -0.7149   -3.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0
  7  8  2  0
  8  9  1  0
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  9 11  1  0
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 20 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 20 21  1  1
 21 23  1  0
 21 22  2  0
  8  3  1  0
 32 18  1  0
 18  6  1  0
 31 20  1  0
 15  7  1  0
 29 25  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
 11 40  1  0
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 30 60  1  0
 31 61  1  1
 33 62  1  0
 33 63  1  0
 33 64  1  0
 34 65  1  0
 34 66  1  0
 34 67  1  0
M  CHG  2  21   1  23  -1
M  END


  Mrv0541 04121512072D          

 34 39  0  0  0  0            999 V2000
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
  3 34  1  0  0  0  0
  7 34  2  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
> <DATABASE_ID>
NP0179962

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C3=C1C(=O)CC(C)(C)N3C(=O)C21CC2(CN3CCCC3CC2C1(C)C)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H33N3O5/c1-23(2)12-17(30)20-18(34-5)9-8-16-21(20)28(23)22(31)26(16)13-25(29(32)33)14-27-10-6-7-15(27)11-19(25)24(26,3)4/h8-9,15,19H,6-7,10-14H2,1-5H3

> <INCHI_KEY>
LUESCPPTDJZZQN-UHFFFAOYSA-N

> <FORMULA>
C26H33N3O5

> <MOLECULAR_WEIGHT>
467.566

> <EXACT_MASS>
467.242021175

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
50.169591496518265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,5a,6,8,8a,9,9a-decahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione

> <ALOGPS_LOGP>
3.65

> <JCHEM_LOGP>
2.5431750853333335

> <ALOGPS_LOGS>
-3.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.487902563780523

> <JCHEM_PKA_STRONGEST_BASIC>
8.263591624389612

> <JCHEM_POLAR_SURFACE_AREA>
92.99000000000001

> <JCHEM_REFRACTIVITY>
125.11459999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.83e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-APR-15         0                                  
HETATM    1  C   UNK     0      -1.674  -5.072   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.988  -3.564   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.839  -2.539   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.624  -3.021   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.773  -1.996   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.459  -0.488   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.003  -0.006   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.004   1.534   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.470   2.004   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.953   3.466   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.370   0.754   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.281   1.996   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.743   1.513   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.080   2.277   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       7.411   1.501   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       8.877   1.971   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.777   0.721   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.866  -0.521   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.404  -0.039   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.067  -0.803   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.736  -0.027   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.270  -0.496   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.567  -2.007   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.131  -1.534   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       4.589   3.045   0.000  0.00  0.00           N+1
HETATM   26  O   UNK     0       5.839   3.945   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       3.185   3.678   0.000  0.00  0.00           O-1
HETATM   28  C   UNK     0      -1.327   2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.332   3.485   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.311   3.494   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.664   1.546   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.671   0.006   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.034  -0.710   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.152  -1.031   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8   34                                                  
CONECT    8    7    9   28                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    6   12   22                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   21   25                                             
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   13   22                                                  
CONECT   22   21   11   23   24                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   13   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28    8   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32    3    7                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₃N₃O₅

Average Mass

467.5660 Da

Monoisotopic Mass

467.24202 Da

IUPAC Name

9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,5a,6,8,8a,9,9a-decahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione

Traditional Name

9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C3=C1C(=O)CC(C)(C)N3C(=O)C21CC2(CN3CCCC3CC2C1(C)C)[N+]([O-])=O

InChI Identifier

InChI=1S/C26H33N3O5/c1-23(2)12-17(30)20-18(34-5)9-8-16-21(20)28(23)22(31)26(16)13-25(29(32)33)14-27-10-6-7-15(27)11-19(25)24(26,3)4/h8-9,15,19H,6-7,10-14H2,1-5H3

InChI Key

LUESCPPTDJZZQN-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

Species Name	Source	Reference
Penicillium cyclopium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinolones and derivatives

Direct Parent

Hydroquinolones

Alternative Parents

Substituents

Tetrahydroquinolone
Tetrahydroquinoline
Indole or derivatives
Indolizidine
Anisole
Aryl ketone
Aryl alkyl ketone
Aralkylamine
Alkyl aryl ether
Benzenoid
N-alkylpyrrolidine
Piperidine
Vinylogous amide
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid or derivatives
Ketone
Lactam
C-nitro compound
Carboxamide group
Organic nitro compound
Tertiary aliphatic amine
Tertiary amine
Allyl-type 1,3-dipolar organic compound
Organic oxoazanium
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Azacycle
Carboxylic acid derivative
Ether
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic zwitterion
Amine
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	3.65	ALOGPS
logP	2.54	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	15.49	ChemAxon
pKa (Strongest Basic)	8.26	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	92.99 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	125.11 m³·mol⁻¹	ChemAxon
Polarizability	50.17 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

3952230

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione (NP0179962)

MOL for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

3D MOL for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

3D SDF for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

3D-SDF for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

PDB for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

3D PDB for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

SMILES for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

INCHI for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

Structure for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)

3D Structure for NP0179962 (9'-methoxy-5',5',8,8-tetramethyl-5a-nitro-1,2,3,5,6,8a,9,9a-octahydro-4'-azaspiro[cyclopenta[f]indolizine-7,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-triene-3',7'-dione)