NP-MRD: Showing NP-Card for 23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (NP0316218)

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Record Information

Version

2.0

Created at

2022-09-11 15:15:55 UTC

Updated at

2022-09-11 15:15:56 UTC

NP-MRD ID

NP0316218

Secondary Accession Numbers

None

Natural Product Identification

Common Name

23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione

Description

23-Hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]Dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. Based on a literature review very few articles have been published on 23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]Dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112217152D          

 41 47  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309112217152D          

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    4.9546   -2.7676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730   -2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535   -1.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602   -3.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2245   -2.6349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119   -3.8744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952   -4.5430    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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  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
  6 32  1  0  0  0  0
 32 33  2  0  0  0  0
 30 34  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 36  1  0  0  0  0
 36 37  2  0  0  0  0
 23 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 20 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0316218

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C=C1OC1=CC(=CC=C1OC)C(=O)OC1C=COC=C3CC45SSC(C2O)(N(C)C4=O)C(=O)N5C13

> <INCHI_IDENTIFIER>
InChI=1S/C28H24N2O9S2/c1-29-25(33)27-12-16-13-37-9-8-19-22(16)30(27)26(34)28(29,41-40-27)23(31)14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3

> <INCHI_KEY>
DXKCEUGOBOSHKR-UHFFFAOYSA-N

> <FORMULA>
C28H24N2O9S2

> <MOLECULAR_WEIGHT>
596.63

> <EXACT_MASS>
596.092322709

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
56.95158413413516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1^{1,4}.1^{2,24}.1^{12,16}.1^{18,22}.0^{3,9}]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione

> <JCHEM_LOGP>
2.7726489346666683

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.98350204455759

> <JCHEM_PKA_STRONGEST_BASIC>
-3.680816205710509

> <JCHEM_POLAR_SURFACE_AREA>
124.07000000000001

> <JCHEM_REFRACTIVITY>
149.00410000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1^{1,4}.1^{2,24}.1^{12,16}.1^{18,22}.0^{3,9}]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      14.937   4.112   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      14.694   2.592   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.255   2.042   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.061   3.038   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.608   2.497   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.335   0.961   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.550  -0.025   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.028   0.489   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.172  -0.614   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      14.988  -1.985   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.872  -3.057   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.276  -4.562   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.724  -5.086   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.835  -4.019   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.474  -2.498   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.616  -1.465   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      19.081  -1.937   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.898  -5.093   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.094  -3.779   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      11.775  -6.099   0.000  0.00  0.00           C+0
HETATM   21  S   UNK     0      11.331  -7.959   0.000  0.00  0.00           S+0
HETATM   22  S   UNK     0       9.754  -8.081   0.000  0.00  0.00           S+0
HETATM   23  C   UNK     0       9.005  -6.688   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.357  -6.743   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.730  -5.288   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.209  -4.965   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.434  -3.612   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.031  -2.191   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.525  -1.774   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.810  -2.648   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.567  -1.237   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       8.907   0.324   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       7.712   1.295   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.899  -4.263   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       9.249  -5.166   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      10.776  -4.858   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      11.300  -3.410   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.566  -6.042   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      11.619  -4.918   0.000  0.00  0.00           O+0
HETATM   40  N   UNK     0      12.156  -7.232   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0      13.058  -8.480   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   32                                                  
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   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   12   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   36   40                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   35   38                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31    6   33                                                  
CONECT   33   32                                                            
CONECT   34   30   25   35                                                  
CONECT   35   34   23   36                                                  
CONECT   36   35   20   37                                                  
CONECT   37   36                                                            
CONECT   38   23   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   20   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₂₄N₂O₉S₂

Average Mass

596.6300 Da

Monoisotopic Mass

596.09232 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C=C1OC1=CC(=CC=C1OC)C(=O)OC1C=COC=C3CC45SSC(C2O)(N(C)C4=O)C(=O)N5C13

InChI Identifier

InChI=1S/C28H24N2O9S2/c1-29-25(33)27-12-16-13-37-9-8-19-22(16)30(27)26(34)28(29,41-40-27)23(31)14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3

InChI Key

DXKCEUGOBOSHKR-UHFFFAOYSA-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 macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Diaryl ether
Alpha-amino acid or derivatives
Epipolythiodioxopiperazine
Thiodioxopiperazine
Anisole
Dioxopiperazine
Phenol ether
2,5-dioxopiperazine
Alkyl aryl ether
N-alkylpiperazine
N-methylpiperazine
Dithiazinane
1,4-diazinane
Piperazine
Benzenoid
Tertiary carboxylic acid amide
Pyrrolidine
Secondary alcohol
Organic disulfide
Lactone
Lactam
Carboxamide group
Carboxylic acid ester
Organoheterocyclic compound
Azacycle
Ether
Oxacycle
Carboxylic acid derivative
Organic oxide
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
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

8386212

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10210716

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (NP0316218)

MOL for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D MOL for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D SDF for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D-SDF for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

PDB for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D PDB for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

SMILES for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

INCHI for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

Structure for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D Structure for NP0316218 (23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)