NP-MRD: Showing NP-Card for 9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate (NP0330191)

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Record Information

Version

2.0

Created at

2022-09-12 15:18:13 UTC

Updated at

2022-09-12 15:18:13 UTC

NP-MRD ID

NP0330191

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate

Description

9-Hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadec-11-en-4-yl acetate belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. 9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate is found in Consolida oliveriana. 9-Hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadec-11-en-4-yl acetate is a very strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004251503482D          

 35 40  0  0  0  0            999 V2000
   -0.7348    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    0.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3653   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9777    1.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2578    2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5029    0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3003   -0.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -1.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684   -2.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139   -2.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766   -0.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573    0.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0589    1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9812    2.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8091    1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202   -1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -2.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052   -1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2360   -1.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -2.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255   -1.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920   -0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3865   -1.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 16 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
  4 30  1  0  0  0  0
 10 30  1  0  0  0  0
 25 31  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
  4 33  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv1533004251503482D          

 35 40  0  0  0  0            999 V2000
   -0.7348    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    0.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3653   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9777    1.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2578    2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5029    0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3003   -0.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -1.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684   -2.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139   -2.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766   -0.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573    0.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0589    1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9812    2.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8091    1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202   -1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -2.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052   -1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2360   -1.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -2.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255   -1.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920   -0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3865   -1.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 16 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
  4 30  1  0  0  0  0
 10 30  1  0  0  0  0
 25 31  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
  4 33  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0330191

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COCC12CCC(OC)C34C5CC6C(OC(C)=O)C5C(CC6OC)(OC)C(O)(C(OC)C13)C4N=C2

> <INCHI_IDENTIFIER>
InChI=1S/C26H39NO8/c1-13(28)35-19-14-9-15-18(19)24(34-6,10-16(14)31-3)26(29)21(33-5)20-23(12-30-2)8-7-17(32-4)25(15,20)22(26)27-11-23/h11,14-22,29H,7-10,12H2,1-6H3

> <INCHI_KEY>
SMMGDFWGXNKKOO-UHFFFAOYSA-N

> <FORMULA>
C26H39NO8

> <MOLECULAR_WEIGHT>
493.597

> <EXACT_MASS>
493.26756722

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
52.213621479200285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate

> <ALOGPS_LOGP>
1.69

> <JCHEM_LOGP>
-0.8661276156666677

> <ALOGPS_LOGS>
-4.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.00395195339266

> <JCHEM_PKA_STRONGEST_BASIC>
5.347019030831678

> <JCHEM_POLAR_SURFACE_AREA>
105.04

> <JCHEM_REFRACTIVITY>
123.7132

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.83e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      -1.372   3.093   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.925   1.656   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.913   0.405   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.682  -0.164   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.820   1.430   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.236   2.151   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.463   1.106   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       3.692   2.769   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.214   4.309   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.409  -0.607   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.044   0.067   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.539   1.001   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.027  -0.368   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.412  -1.983   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.170  -2.952   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.662  -2.457   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.914  -4.152   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.933  -5.426   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.930  -0.939   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.243   0.297   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.134   1.626   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.443   2.557   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.298   4.090   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.844   1.916   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.958  -2.880   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.714  -4.497   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.063  -2.261   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.441  -3.481   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.472  -5.113   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.152  -0.597   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.917  -2.476   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       1.168  -2.904   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       0.172  -1.653   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.055  -2.360   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      11.351  -1.460   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   30   33                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   30   31                                             
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15   34                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19   25                                             
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   11   20                                                  
CONECT   20   19   13   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   16   26   27   31                                             
CONECT   26   25                                                            
CONECT   27   25   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27    4   10                                                  
CONECT   31   25   10   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32    4                                                       
CONECT   34   14   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   80    0
END

View in JSmol

Synonyms

Value	Source
9-Hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1,.0,.0,.0,]nonadec-11-en-4-yl acetic acid	Generator
9-Hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetic acid	Generator

Chemical Formula

C₂₆H₃₉NO₈

Average Mass

493.5970 Da

Monoisotopic Mass

493.26757 Da

IUPAC Name

9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate

Traditional Name

9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate

CAS Registry Number

Not Available

SMILES

COCC12CCC(OC)C34C5CC6C(OC(C)=O)C5C(CC6OC)(OC)C(O)(C(OC)C13)C4N=C2

InChI Identifier

InChI=1S/C26H39NO8/c1-13(28)35-19-14-9-15-18(19)24(34-6,10-16(14)31-3)26(29)21(33-5)20-23(12-30-2)8-7-17(32-4)25(15,20)22(26)27-11-23/h11,14-22,29H,7-10,12H2,1-6H3

InChI Key

SMMGDFWGXNKKOO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Consolida oliveriana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azepines

Sub Class

Not Available

Direct Parent

Azepines

Alternative Parents

Substituents

Azepine
Tetrahydropyridine
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Azacycle
Carbonyl group
Imine
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organopnictogen 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
logP	1.69	ALOGPS
logP	-0.87	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	12	ChemAxon
pKa (Strongest Basic)	5.35	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	105.04 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	123.71 m³·mol⁻¹	ChemAxon
Polarizability	52.21 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

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

LOTUS database [Link]

Showing NP-Card for 9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate (NP0330191)

MOL for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

3D MOL for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

3D SDF for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

3D-SDF for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

PDB for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

3D PDB for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

SMILES for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

INCHI for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

Structure for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)

3D Structure for NP0330191 (9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-4-yl acetate)