NP-MRD: Showing NP-Card for {11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate (NP0168489)

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Record Information

Version

2.0

Created at

2022-09-03 04:18:33 UTC

Updated at

2022-09-03 04:18:33 UTC

NP-MRD ID

NP0168489

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate

Description

{11-Ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-13-yl}methyl 2-methoxybenzoate belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom. {11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate is found in Delphinium cyphoplectrum. {11-Ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-13-yl}methyl 2-methoxybenzoate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171516022D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004171516022D          

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    1.0065    2.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796    2.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8202    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -0.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4646   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7393   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060   -1.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -2.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -2.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3902   -1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4816   -0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221   -1.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3899   -0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0354    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6386    1.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5387   -1.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149   -0.7129    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  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 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
 20 22  1  0  0  0  0
 22 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 33  1  0  0  0  0
 22 33  1  0  0  0  0
 31 34  1  0  0  0  0
  3 34  1  0  0  0  0
 22 34  1  0  0  0  0
 28 35  1  0  0  0  0
 23 35  1  0  0  0  0
 35 36  1  0  0  0  0
 25 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 26 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0168489

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCN1CC2(COC(=O)C3=CC=CC=C3OC)CCC(O)C34C5CC6C(OC)C5C(CC6OC)(OC)C(CC23)C14

> <INCHI_IDENTIFIER>
InChI=1S/C32H45NO7/c1-6-33-16-30(17-40-29(35)18-9-7-8-10-22(18)36-2)12-11-25(34)32-20-13-19-23(37-3)15-31(39-5,26(20)27(19)38-4)21(28(32)33)14-24(30)32/h7-10,19-21,23-28,34H,6,11-17H2,1-5H3

> <INCHI_KEY>
XHJDCLXGXWJUHK-UHFFFAOYSA-N

> <FORMULA>
C32H45NO7

> <MOLECULAR_WEIGHT>
555.712

> <EXACT_MASS>
555.319602793

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
61.972059187837694

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
2.067529675333331

> <ALOGPS_LOGS>
-4.56

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.63553350998011

> <JCHEM_PKA_STRONGEST_BASIC>
10.004995115633188

> <JCHEM_POLAR_SURFACE_AREA>
86.69000000000001

> <JCHEM_REFRACTIVITY>
149.32259999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.52e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -0.611  -4.460   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.926  -4.371   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.618  -2.995   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.783  -1.614   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.460  -0.167   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.017   0.370   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.239   1.889   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.948   2.870   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.391   2.333   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.692   4.389   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.751   4.926   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.008   6.445   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.180   7.426   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.623   6.888   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.879   5.370   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.322   4.832   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.578   3.314   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.896   1.372   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.398   1.802   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.378   0.607   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.880   0.948   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.985  -0.999   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.447  -0.204   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.805   0.849   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.334  -0.473   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.847  -2.052   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.691  -3.146   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.171  -2.762   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.174  -4.302   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.509  -5.070   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.477  -3.195   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.595  -2.558   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.766  -0.872   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.401  -2.823   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.328  -1.209   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.533   0.173   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       7.398   1.707   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       8.659   2.591   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.339  -2.433   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      11.415  -1.331   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   18   33                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18    5   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   33   34                                             
CONECT   23   22   24   35                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   36                                                  
CONECT   26   25   27   39                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31   35                                             
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32    5   22                                                  
CONECT   34   31    3   22                                                  
CONECT   35   28   23   36                                                  
CONECT   36   35   25   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   26   40                                                       
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   92    0
END

View in JSmol

Synonyms

Value	Source
{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1,.0,.0,.0,]nonadecan-13-yl}methyl 2-methoxybenzoic acid	Generator
{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoic acid	Generator

Chemical Formula

C₃₂H₄₅NO₇

Average Mass

555.7120 Da

Monoisotopic Mass

555.31960 Da

IUPAC Name

{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate

Traditional Name

{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate

CAS Registry Number

Not Available

SMILES

CCN1CC2(COC(=O)C3=CC=CC=C3OC)CCC(O)C34C5CC6C(OC)C5C(CC6OC)(OC)C(CC23)C14

InChI Identifier

InChI=1S/C32H45NO7/c1-6-33-16-30(17-40-29(35)18-9-7-8-10-22(18)36-2)12-11-25(34)32-20-13-19-23(37-3)15-31(39-5,26(20)27(19)38-4)21(28(32)33)14-24(30)32/h7-10,19-21,23-28,34H,6,11-17H2,1-5H3

InChI Key

XHJDCLXGXWJUHK-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
Delphinium cyphoplectrum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Aconitane-type diterpenoid alkaloids

Alternative Parents

Substituents

Aconitane-type diterpenoid alkaloid
O-methoxybenzoic acid or derivatives
Benzoate ester
Quinolidine
Benzoic acid or derivatives
Alkaloid or derivatives
Phenoxy compound
Anisole
Benzoyl
Methoxybenzene
Phenol ether
Alkyl aryl ether
Azepane
Monocyclic benzene moiety
Benzenoid
Piperidine
Cyclic alcohol
Carboxylic acid ester
Amino acid or derivatives
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Dialkyl ether
Ether
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Amine
Organonitrogen compound
Organic oxygen compound
Organopnictogen 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	2.41	ALOGPS
logP	2.07	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	14.64	ChemAxon
pKa (Strongest Basic)	10	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	86.69 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	149.32 m³·mol⁻¹	ChemAxon
Polarizability	61.97 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

73657593

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate (NP0168489)

MOL for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

3D MOL for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

3D SDF for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

3D-SDF for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

PDB for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

3D PDB for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

SMILES for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

INCHI for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

Structure for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)

3D Structure for NP0168489 ({11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate)