NP-MRD: Showing NP-Card for (1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate (NP0146792)

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Record Information

Version

2.0

Created at

2022-09-02 02:15:42 UTC

Updated at

2022-09-02 02:15:42 UTC

NP-MRD ID

NP0146792

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate

Description

Lythrancine IV belongs to the class of organic compounds known as quinolizidines. Quinolizidines are compounds containing a quinolizidine moiety, which is a octahydro-2H-quinolizine derivative. Based on a literature review very few articles have been published on Lythrancine IV.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022204152D          

 42 46  0  0  1  0            999 V2000
   10.0564   -0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2314   -0.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2443    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8383    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0134    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    0.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0004    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7822   -1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0262   -0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9342    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6 41  1  0  0  0  0
 33 42  1  1  0  0  0
 29 42  1  6  0  0  0
 17 42  1  1  0  0  0
M  END

     RDKit          2D

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M  END


  Mrv1652309022204152D          

 42 46  0  0  1  0            999 V2000
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    2.7711   -0.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -1.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -2.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317   -1.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8106    0.1589    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2445    0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812    1.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    1.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    1.1394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2002    2.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833    2.4973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5978    3.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1253    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398    4.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9384    3.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719    2.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6134    0.3490    0.0000 N   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
  6 41  1  0  0  0  0
 33 42  1  1  0  0  0
 29 42  1  6  0  0  0
 17 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0146792

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2CC[C@H](C[C@@H]3CCC[C@H]4[C@H](OC(C)=O)[C@@H](C[C@@H](N34)C3=CC=C(OC)C(=C3)C1=C2)OC(C)=O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H41NO8/c1-19(35)40-25-12-9-22-10-13-30(38-4)26(15-22)27-16-23(11-14-31(27)39-5)29-18-32(41-20(2)36)33(42-21(3)37)28-8-6-7-24(17-25)34(28)29/h10-11,13-16,24-25,28-29,32-33H,6-9,12,17-18H2,1-5H3/t24-,25+,28-,29+,32+,33-/m0/s1

> <INCHI_KEY>
NEKIHSCHYFCIRU-QZZURBPNSA-N

> <FORMULA>
C33H41NO8

> <MOLECULAR_WEIGHT>
579.69

> <EXACT_MASS>
579.283217284

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
63.45051907733763

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,14R,16S,20S,21S,22R)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1^{2,6}.1^{7,11}.0^{20,24}]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate

> <ALOGPS_LOGP>
4.53

> <JCHEM_LOGP>
4.141415866333333

> <ALOGPS_LOGS>
-5.36

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.783829966640214

> <JCHEM_POLAR_SURFACE_AREA>
100.60000000000001

> <JCHEM_REFRACTIVITY>
154.83029999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.54e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,14R,16S,20S,21S,22R)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1^{2,6}.1^{7,11}.0^{20,24}]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      18.772  -0.923   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      17.232  -0.909   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      16.474   0.431   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.256   1.758   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.498   3.098   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.958   3.112   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.176   1.786   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.934   0.445   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.900  -1.021   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.660  -1.935   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.249  -1.319   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.077   0.211   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.317   1.125   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.728   0.509   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.967   1.423   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      16.500   1.273   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.668  -0.469   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.227  -1.944   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.728  -2.299   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.286  -3.774   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.343  -4.894   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.841  -4.540   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.901  -6.370   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.671  -1.179   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.173  -1.534   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.731  -3.009   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.788  -4.129   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.232  -3.364   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.113   0.297   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.056   1.417   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.498   2.892   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.997   3.247   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.053   2.127   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.707   3.798   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.982   4.662   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      10.449   6.106   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      11.434   7.290   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.901   8.735   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      12.952   7.030   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      12.513   4.833   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      13.948   4.274   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       8.612   0.652   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   41                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   11   18   42                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30   42                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   42                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   35   41                                                       
CONECT   41   40    6                                                       
CONECT   42   33   29   17                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₁NO₈

Average Mass

579.6900 Da

Monoisotopic Mass

579.28322 Da

IUPAC Name

(1R,14R,16S,20S,21S,22R)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1^{2,6}.1^{7,11}.0^{20,24}]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate

Traditional Name

(1R,14R,16S,20S,21S,22R)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1^{2,6}.1^{7,11}.0^{20,24}]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=CC=C2CC[C@H](C[C@@H]3CCC[C@H]4[C@H](OC(C)=O)[C@@H](C[C@@H](N34)C3=CC=C(OC)C(=C3)C1=C2)OC(C)=O)OC(C)=O

InChI Identifier

InChI=1S/C33H41NO8/c1-19(35)40-25-12-9-22-10-13-30(38-4)26(15-22)27-16-23(11-14-31(27)39-5)29-18-32(41-20(2)36)33(42-21(3)37)28-8-6-7-24(17-25)34(28)29/h10-11,13-16,24-25,28-29,32-33H,6-9,12,17-18H2,1-5H3/t24-,25+,28-,29+,32+,33-/m0/s1

InChI Key

NEKIHSCHYFCIRU-QZZURBPNSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinolizidines. Quinolizidines are compounds containing a quinolizidine moiety, which is a octahydro-2H-quinolizine derivative.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolizidines

Sub Class

Not Available

Direct Parent

Quinolizidines

Alternative Parents

Substituents

Quinolizidine
Tricarboxylic acid or derivatives
Anisole
Aralkylamine
Alkyl aryl ether
Benzenoid
Piperidine
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	4.53	ALOGPS
logP	4.14	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Basic)	8.78	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	100.6 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	154.83 m³·mol⁻¹	ChemAxon
Polarizability	63.45 Å³	ChemAxon
Number of Rings	5	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

C00051381

Chemspider ID

10390676

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12312593

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate (NP0146792)

MOL for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

3D MOL for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

3D SDF for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

3D-SDF for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

PDB for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

3D PDB for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

SMILES for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

INCHI for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

Structure for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)

3D Structure for NP0146792 ((1r,14r,16s,20s,21s,22r)-21,22-bis(acetyloxy)-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate)