NP-MRD: Showing NP-Card for (8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene (NP0241794)

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Record Information

Version

2.0

Created at

2022-09-07 01:57:32 UTC

Updated at

2022-09-07 01:57:32 UTC

NP-MRD ID

NP0241794

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

Description

(21R)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]Heptatriaconta-1(30),2,4(34),8,10,12,15,17,19(35),25,27,32,36-tridecaene belongs to the class of organic compounds known as dibenzo-p-dioxins. Dibenzo-p-dioxins are compounds containing a dibenzo-p-dioxin moiety, which consists of two benzene connected by a para-dioxin ring. (8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene is found in Laureliopsis philippiana. Based on a literature review very few articles have been published on (21R)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]Heptatriaconta-1(30),2,4(34),8,10,12,15,17,19(35),25,27,32,36-tridecaene.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203572D          

 43 50  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309072203572D          

 43 50  0  0  1  0            999 V2000
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    3.1823    1.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    2.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9062    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289   -0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -1.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1064   -1.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0671   -0.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8605   -0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0164    0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3828    0.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5448    1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1117   -3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -3.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -4.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574   -5.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342   -4.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996   -3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813   -2.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -1.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733   -2.2572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6374   -1.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969   -2.5769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615   -3.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -3.9109    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  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  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
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 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
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 29 36  1  0  0  0  0
 36 37  1  0  0  0  0
 20 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
  6 39  1  0  0  0  0
 38 40  1  6  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 34 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241794

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C5OC6=C(OC5=C34)C=C3C(CCN(C)\C3=C\C3=CC=C(OC1=C2)C=C3)=C6

> <INCHI_IDENTIFIER>
InChI=1S/C36H34N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)15-21-5-8-25(9-6-21)41-30-17-22(7-10-29(30)39-3)16-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,15,17-20,28H,11-14,16H2,1-4H3/b27-15+/t28-/m1/s1

> <INCHI_KEY>
WQBWUPDWIMCJGI-CBDLDADJSA-N

> <FORMULA>
C36H34N2O5

> <MOLECULAR_WEIGHT>
574.677

> <EXACT_MASS>
574.246772203

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
64.58213260584435

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(8E,21R)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2^{10,13}.1^{4,30}.1^{15,19}.0^{3,8}.0^{25,33}.0^{28,32}]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

> <JCHEM_LOGP>
6.071089929999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.376773725070514

> <JCHEM_POLAR_SURFACE_AREA>
52.63

> <JCHEM_REFRACTIVITY>
168.86439999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(8E,21R)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2^{10,13}.1^{4,30}.1^{15,19}.0^{3,8}.0^{25,33}.0^{28,32}]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.543   2.706   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.004   2.645   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.287   1.282   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.147  -0.015   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.431  -1.394   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.139  -1.526   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.933  -0.178   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.285   1.256   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.294   2.509   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.732   3.206   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.409   1.802   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.946   1.652   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.940   2.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.232   4.272   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.675   4.467   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.292   1.964   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.554   0.948   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.267  -0.623   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.793  -1.177   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.491  -2.702   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.665  -3.730   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.149  -3.183   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.459  -1.644   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.940  -1.103   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.231   0.419   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      10.048   1.429   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      10.350   2.939   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.307  -5.258   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.808  -5.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.456  -7.294   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.595  -8.330   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.267  -9.835   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.984  -7.785   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.799  -6.762   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.083  -5.212   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.632  -4.729   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.006  -3.202   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       1.817  -4.214   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.190  -2.730   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0       0.368  -4.810   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0      -0.837  -3.851   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.115  -6.330   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.322  -7.300   0.000  0.00  0.00           C+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   39                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16   13   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   37                                                  
CONECT   21   20   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   18   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   17   27                                                  
CONECT   27   26                                                            
CONECT   28   21   29                                                       
CONECT   29   28   30   36                                                  
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34                                                       
CONECT   34   33   35   43                                                  
CONECT   35   34   36   38                                                  
CONECT   36   35   29   37                                                  
CONECT   37   36   20                                                       
CONECT   38   35   39   40                                                  
CONECT   39   38    6                                                       
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   34                                                       
MASTER        0    0    0    0    0    0    0    0   43    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₄N₂O₅

Average Mass

574.6770 Da

Monoisotopic Mass

574.24677 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C5OC6=C(OC5=C34)C=C3C(CCN(C)\C3=C\C3=CC=C(OC1=C2)C=C3)=C6

InChI Identifier

InChI=1S/C36H34N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)15-21-5-8-25(9-6-21)41-30-17-22(7-10-29(30)39-3)16-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,15,17-20,28H,11-14,16H2,1-4H3/b27-15+/t28-/m1/s1

InChI Key

WQBWUPDWIMCJGI-CBDLDADJSA-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
Laureliopsis philippiana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzo-p-dioxins. Dibenzo-p-dioxins are compounds containing a dibenzo-p-dioxin moiety, which consists of two benzene connected by a para-dioxin ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzodioxins

Sub Class

Benzo-p-dioxins

Direct Parent

Dibenzo-p-dioxins

Alternative Parents

Substituents

Dibenzo-p-dioxin
Diaryl ether
Tetrahydroisoquinoline
Anisole
Alkyl aryl ether
Aralkylamine
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Oxacycle
Ether
Enamine
Azacycle
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
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

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

28286136

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163191456

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene (NP0241794)

MOL for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

3D MOL for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

3D SDF for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

3D-SDF for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

PDB for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

3D PDB for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

SMILES for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

INCHI for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

Structure for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)

3D Structure for NP0241794 ((8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene)