NP-MRD: Showing NP-Card for (21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene (NP0196728)

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Record Information

Version

2.0

Created at

2022-09-04 14:51:42 UTC

Updated at

2022-09-04 14:51:42 UTC

NP-MRD ID

NP0196728

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042216512D          

 43 49  0  0  1  0            999 V2000
    4.6594    3.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309042216512D          

 43 49  0  0  1  0            999 V2000
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    3.9472    7.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6026    7.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    6.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4304    7.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2832    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0849    7.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7255    7.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5900    6.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    5.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1626    6.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0128    5.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1849    4.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9614    4.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0948    3.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4351    2.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6764    4.5445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    5.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0175    4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359    3.2232    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  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 26 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  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
  6 39  1  0  0  0  0
 20 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
 18 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0196728

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C3CCN=C2CC2=CC=C(OC4=CC(C[C@H]5N(C)CCC6=C5C(OC1=C3)=C(OC)C(OC)=C6)=CC=C4)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C36H36N2O5/c1-38-15-13-25-20-33(40-3)35(41-4)36-34(25)30(38)18-23-6-5-7-27(16-23)42-26-10-8-22(9-11-26)17-29-28-21-31(39-2)32(43-36)19-24(28)12-14-37-29/h5-11,16,19-21,30H,12-15,17-18H2,1-4H3/t30-/m1/s1

> <INCHI_KEY>
AHOMFGXCQWFXTC-SSEXGKCCSA-N

> <FORMULA>
C36H36N2O5

> <MOLECULAR_WEIGHT>
576.693

> <EXACT_MASS>
576.262422267

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
62.19608868824582

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(21R)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1^{7,11}.1^{13,17}.1^{23,27}.0^{3,8}.0^{21,35}]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene

> <JCHEM_LOGP>
6.249960658333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.687370316749608

> <JCHEM_POLAR_SURFACE_AREA>
61.75000000000001

> <JCHEM_REFRACTIVITY>
168.14939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(21R)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1^{7,11}.1^{13,17}.1^{23,27}.0^{3,8}.0^{21,35}]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       8.698   7.050   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.973   7.912   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.358   7.239   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.619   8.118   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.062   7.506   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.249   5.952   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.921   5.074   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.446   5.688   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.802   5.542   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.158   5.528   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.146   3.954   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.490   3.202   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.511   1.662   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.840   3.140   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.889   1.601   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.581   0.789   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.485   3.870   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.427   5.428   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.721   6.341   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.476   7.969   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.894   9.571   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.835  11.210   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.664  12.289   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.908  13.835   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.368  14.356   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.592  13.385   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.267  11.845   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      10.137  13.816   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      11.729  13.552   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.225  14.066   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.421  13.073   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.168  11.516   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.684  11.020   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.504  12.003   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.957  10.105   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.279   8.533   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      16.728   7.939   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      16.977   6.407   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      15.745   5.442   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0       4.996   8.483   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0       4.751  10.004   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.766   7.542   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.987   6.017   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   36                                                  
CONECT    6    5    7   39                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   43                                                  
CONECT   19   18   10   20                                                  
CONECT   20   19   21   40                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26   22                                                       
CONECT   28   26   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   32   36                                                       
CONECT   36   35    5   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38    6                                                       
CONECT   40   20   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   18                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₆N₂O₅

Average Mass

576.6930 Da

Monoisotopic Mass

576.26242 Da

IUPAC Name

(21R)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1^{7,11}.1^{13,17}.1^{23,27}.0^{3,8}.0^{21,35}]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene

Traditional Name

(21R)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1^{7,11}.1^{13,17}.1^{23,27}.0^{3,8}.0^{21,35}]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene

CAS Registry Number

Not Available

SMILES

COC1=CC2=C3CCN=C2CC2=CC=C(OC4=CC(C[C@H]5N(C)CCC6=C5C(OC1=C3)=C(OC)C(OC)=C6)=CC=C4)C=C2

InChI Identifier

InChI=1S/C36H36N2O5/c1-38-15-13-25-20-33(40-3)35(41-4)36-34(25)30(38)18-23-6-5-7-27(16-23)42-26-10-8-22(9-11-26)17-29-28-21-31(39-2)32(43-36)19-24(28)12-14-37-29/h5-11,16,19-21,30H,12-15,17-18H2,1-4H3/t30-/m1/s1

InChI Key

AHOMFGXCQWFXTC-SSEXGKCCSA-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
Thalictrum minus	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	6.25	ChemAxon
pKa (Strongest Basic)	7.69	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	61.75 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	168.15 m³·mol⁻¹	ChemAxon
Polarizability	62.2 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene (NP0196728)

MOL for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

3D MOL for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

3D SDF for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

3D-SDF for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

PDB for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

3D PDB for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

SMILES for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

INCHI for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

Structure for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)

3D Structure for NP0196728 ((21r)-10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaene)