NP-MRD: Showing NP-Card for (1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol (NP0286461)

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Record Information

Version

2.0

Created at

2022-09-09 15:03:04 UTC

Updated at

2022-09-09 15:03:04 UTC

NP-MRD ID

NP0286461

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol

Description

(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-4-ol 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. (1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol is found in Aconitum columbianum. Based on a literature review very few articles have been published on (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-4-ol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092217032D          

 31 36  0  0  1  0            999 V2000
   -0.3274   -2.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -1.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -0.0895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0090    0.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    1.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    1.5376    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  2  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
    3.3937    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -0.5353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9178   -0.1091    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    4.7393   -1.0995    0.0000 C   0  0  1  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
    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  2  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  1  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  2  0  0  0  0  0  0  0  0  0
    1.8221   -1.5122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3899   -0.6478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0354    0.0925    0.0000 C   0  0  1  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
  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  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  6  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 26  1  6  0  0  0
  5 27  1  0  0  0  0
 14 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28  3  1  1  0  0  0
 14 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 15  1  6  0  0  0
 29 30  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END


  Mrv1652309092217032D          

 31 36  0  0  1  0            999 V2000
   -0.3274   -2.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -1.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -0.0895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0090    0.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    1.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    1.5376    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  2  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
    3.3937    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -0.5353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9178   -0.1091    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    4.7393   -1.0995    0.0000 C   0  0  1  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
    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  2  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  1  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  2  0  0  0  0  0  0  0  0  0
    1.8221   -1.5122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3899   -0.6478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0354    0.0925    0.0000 C   0  0  1  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
  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  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  6  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 26  1  6  0  0  0
  5 27  1  0  0  0  0
 14 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28  3  1  1  0  0  0
 14 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 15  1  6  0  0  0
 29 30  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0286461

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](C[C@@H]6OC)(OC)[C@@H](C[C@H]23)[C@@H]14

> <INCHI_IDENTIFIER>
InChI=1S/C25H41NO5/c1-6-26-12-23(13-28-2)8-7-19(30-4)25-15-9-14-17(29-3)11-24(31-5,20(15)21(14)27)16(22(25)26)10-18(23)25/h14-22,27H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1

> <INCHI_KEY>
FNFJKGHXFUWFRN-YNLINXDKSA-N

> <FORMULA>
C25H41NO5

> <MOLECULAR_WEIGHT>
435.605

> <EXACT_MASS>
435.298473424

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
49.67566864358966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-ol

> <JCHEM_LOGP>
0.3730275959999985

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.512077470215107

> <JCHEM_PKA_STRONGEST_BASIC>
10.588003297849202

> <JCHEM_POLAR_SURFACE_AREA>
60.39

> <JCHEM_REFRACTIVITY>
117.78859999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         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  C   UNK     0       1.896   1.372   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.398   1.802   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.378   0.607   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.880   0.948   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.335   2.419   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.985  -0.999   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.447  -0.204   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.805   0.849   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.334  -0.473   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.847  -2.052   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.339  -2.433   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      11.415  -1.331   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.691  -3.146   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.171  -2.762   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.174  -4.302   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.509  -5.070   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.477  -3.195   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.595  -2.558   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.766  -0.872   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.401  -2.823   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.328  -1.209   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.533   0.173   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.398   1.707   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   28                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9   27                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    5   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   27   28                                             
CONECT   15   14   16   29                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   30                                                  
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   25   29                                             
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26    5   14                                                  
CONECT   28   25    3   14                                                  
CONECT   29   22   15   30                                                  
CONECT   30   29   17   31                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₄₁NO₅

Average Mass

435.6050 Da

Monoisotopic Mass

435.29847 Da

IUPAC Name

(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-ol

Traditional Name

(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-ol

CAS Registry Number

Not Available

SMILES

CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](C[C@@H]6OC)(OC)[C@@H](C[C@H]23)[C@@H]14

InChI Identifier

InChI=1S/C25H41NO5/c1-6-26-12-23(13-28-2)8-7-19(30-4)25-15-9-14-17(29-3)11-24(31-5,20(15)21(14)27)16(22(25)26)10-18(23)25/h14-22,27H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1

InChI Key

FNFJKGHXFUWFRN-YNLINXDKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aconitum columbianum	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
Quinolidine
Alkaloid or derivatives
Azepane
Piperidine
Cyclic alcohol
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Ether
Dialkyl ether
Azacycle
Organoheterocyclic compound
Amine
Alcohol
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
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	0.37	ChemAxon
pKa (Strongest Acidic)	14.51	ChemAxon
pKa (Strongest Basic)	10.59	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.39 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	117.79 m³·mol⁻¹	ChemAxon
Polarizability	49.68 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

162885353

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol (NP0286461)

MOL for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

3D MOL for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

3D SDF for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

3D-SDF for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

PDB for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

3D PDB for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

SMILES for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

INCHI for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

Structure for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)

3D Structure for NP0286461 ((1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol)