NP-MRD: Showing NP-Card for (1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate (NP0236179)

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Record Information

Version

2.0

Created at

2022-09-06 19:00:36 UTC

Updated at

2022-09-06 19:00:36 UTC

NP-MRD ID

NP0236179

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate

Description

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-18-yl acetate 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,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate is found in Aconitum lycoctonum. Based on a literature review very few articles have been published on (1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-18-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062221002D          

 36 41  0  0  1  0            999 V2000
   -0.4560    1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -0.0965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975   -1.5822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1082   -1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741   -2.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983   -2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658   -2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -2.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651   -1.9996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5135   -2.9187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421   -3.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555   -1.1386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7448   -0.1610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3214    0.0376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3172    0.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -0.3021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5256    0.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853    0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7511    0.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -1.2058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2286   -0.1963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3986    0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    0.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -0.5791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5206   -0.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -1.4246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5644   -2.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378   -1.5663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3108   -1.0284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9548   -1.7699    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7620   -2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5428   -2.6216    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  6  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  1  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  3  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 23 18  1  1  0  0  0
  5 23  1  0  0  0  0
 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 14 32  1  0  0  0  0
 33 32  1  1  0  0  0
 24 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
M  END


  Mrv1652309062221002D          

 36 41  0  0  1  0            999 V2000
   -0.4560    1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -0.0965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975   -1.5822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1082   -1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741   -2.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983   -2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658   -2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -2.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651   -1.9996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5135   -2.9187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421   -3.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555   -1.1386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7448   -0.1610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3214    0.0376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3172    0.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -0.3021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5256    0.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853    0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7511    0.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -1.2058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2286   -0.1963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3986    0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    0.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -0.5791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5206   -0.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -1.4246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5644   -2.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378   -1.5663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3108   -1.0284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9548   -1.7699    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7620   -2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5428   -2.6216    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  6  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  1  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  3  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 23 18  1  1  0  0  0
  5 23  1  0  0  0  0
 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 14 32  1  0  0  0  0
 33 32  1  1  0  0  0
 24 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0236179

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)35-6)27(31,23(26)28)22(21(24)26)36-14(2)29/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27+/m1/s1

> <INCHI_KEY>
BXWPDMXKEZYVBB-NSBGLYBJSA-N

> <FORMULA>
C27H43NO8

> <MOLECULAR_WEIGHT>
509.64

> <EXACT_MASS>
509.298867349

> <ALOGPS_LOGP>
1.13

> <ALOGPS_LOGS>
-2.58

> <ALOGPS_SOLUBILITY>
1.35e+00 g/l

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.851   3.194   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.974   1.545   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.182  -0.180   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -1.230  -1.505   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.555  -2.953   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.069  -3.726   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.938  -5.089   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.477  -5.020   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.123  -4.494   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.379  -4.926   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.361  -3.733   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.825  -5.448   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.505  -7.057   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.970  -2.125   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.390  -0.301   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.467   0.070   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.459   1.705   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.584  -0.564   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.981   0.366   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.586   0.469   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.440  -0.813   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -3.269   1.849   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.751  -2.251   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.160  -0.366   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.477   1.289   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.680   0.015   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.834  -1.081   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.438  -0.801   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       9.319   0.565   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.318  -2.659   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.787  -3.979   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.431  -2.924   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.314  -1.920   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.516  -3.304   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.022  -4.216   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       8.480  -4.894   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9   23                                             
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   23   32                                             
CONECT   15   14    3   16                                                  
CONECT   16   15   17   18   24                                             
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   18    5   14                                                  
CONECT   24   16   25   26   33                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   14   33                                                  
CONECT   33   32   24   34                                                  
CONECT   34   33   30   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-Ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1,.0,.0,.0,]nonadecan-18-yl acetic acid	Generator

Chemical Formula

C₂₇H₄₃NO₈

Average Mass

509.6400 Da

Monoisotopic Mass

509.29887 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)35-6)27(31,23(26)28)22(21(24)26)36-14(2)29/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27+/m1/s1

InChI Key

BXWPDMXKEZYVBB-NSBGLYBJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aconitum lycoctonum	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
Tertiary alcohol
1,2-aminoalcohol
Carboxylic acid ester
1,2-diol
Amino acid or derivatives
Tertiary amine
Tertiary aliphatic amine
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Alcohol
Organic oxygen 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

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

162871747

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,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate (NP0236179)

MOL for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

3D MOL for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

3D SDF for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

3D-SDF for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

PDB for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

3D PDB for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

SMILES for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

INCHI for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

Structure for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)

3D Structure for NP0236179 ((1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate)