NP-MRD: Showing NP-Card for methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate (NP0321623)

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Record Information

Version

2.0

Created at

2022-09-11 23:55:46 UTC

Updated at

2022-09-11 23:55:46 UTC

NP-MRD ID

NP0321623

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate

Description

Xanthoquinodin-A1; Xanthoquinodin-C belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Based on a literature review very few articles have been published on Xanthoquinodin-A1; Xanthoquinodin-C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122201552D          

 42 48  0  0  0  0            999 V2000
    9.4276    1.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5725    1.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3483    0.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792    1.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4933    0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7174    0.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0865   -0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3107    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6798   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8247   -1.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005   -1.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7455   -2.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2314   -1.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0073   -1.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1522   -2.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6382   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4140   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5589   -1.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0449   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 42  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309122201552D          

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    5.8998   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4105   -2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9992   -2.7221    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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  1  0  0  0  0
 11 13  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  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  1  0  0  0  0
  9 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 26 40  1  0  0  0  0
 40 41  1  0  0  0  0
 23 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0321623

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C12OC3=CC4=C(C5C=CC6(C4)C(=O)C4=CC(C)=CC(O)=C4C(O)=C6C5=O)C(O)=C3C(O)=C1C(=O)CCC2O

> <INCHI_IDENTIFIER>
InChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,33-34,36-38H,3-4,10H2,1-2H3

> <INCHI_KEY>
XCWGCTNGDUDAMO-UHFFFAOYSA-N

> <FORMULA>
C31H24O11

> <MOLECULAR_WEIGHT>
572.522

> <EXACT_MASS>
572.131861593

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
57.21700641757147

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0^{1,19}.0^{3,16}.0^{5,14}.0^{7,12}.0^{21,26}]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate

> <JCHEM_LOGP>
1.8981960013333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.493740677224773

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.806298923659592

> <JCHEM_PKA_STRONGEST_BASIC>
-3.404779654009501

> <JCHEM_POLAR_SURFACE_AREA>
187.89

> <JCHEM_REFRACTIVITY>
148.41370000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0^{1,19}.0^{3,16}.0^{5,14}.0^{7,12}.0^{21,26}]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      17.598   3.606   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      17.869   2.090   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      19.317   1.566   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      20.495   2.559   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      19.587   0.050   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      18.139   0.574   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      16.962  -0.418   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.513   0.106   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.336  -0.887   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.606  -2.403   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.054  -2.927   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      16.325  -4.443   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      17.232  -1.934   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.680  -2.458   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      18.951  -3.974   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      19.858  -1.466   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      21.306  -1.990   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      21.577  -3.506   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      22.484  -0.997   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      22.213   0.519   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.765   1.043   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      21.437   2.428   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      13.650  -3.866   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.838  -2.679   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.812  -1.240   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.429  -0.689   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.957   0.065   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.136   0.254   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.462   1.759   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.587  -0.065   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.491   1.017   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.006   0.608   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.910   1.690   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.618  -0.882   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.714  -1.964   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.325  -3.454   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       8.199  -1.555   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.427  -2.558   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.007  -4.039   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      11.013  -2.347   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      11.966  -3.746   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      11.198  -5.081   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   16   21                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   13                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   27                                                  
CONECT   10    9   11   23                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    7   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    5   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    5   22                                                  
CONECT   22   21                                                            
CONECT   23   10   24   41                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   40                                             
CONECT   27   26    9                                                       
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   30   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   26   41                                                  
CONECT   41   40   23   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₂₄O₁₁

Average Mass

572.5220 Da

Monoisotopic Mass

572.13186 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)C12OC3=CC4=C(C5C=CC6(C4)C(=O)C4=CC(C)=CC(O)=C4C(O)=C6C5=O)C(O)=C3C(O)=C1C(=O)CCC2O

InChI Identifier

InChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,33-34,36-38H,3-4,10H2,1-2H3

InChI Key

XCWGCTNGDUDAMO-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 xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Xanthene
1-naphthol
Naphthalene
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Beta-hydroxy acid
Cyclohexenone
Hydroxy acid
Benzenoid
Cyclic alcohol
Vinylogous acid
Methyl ester
Ketone
Carboxylic acid ester
Secondary alcohol
Oxacycle
Monocarboxylic acid or derivatives
Ether
Enol
Carboxylic acid derivative
Polyol
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxide
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

8252321

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10076783

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate (NP0321623)

MOL for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

3D MOL for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

3D SDF for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

3D-SDF for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

PDB for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

3D PDB for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

SMILES for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

INCHI for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

Structure for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)

3D Structure for NP0321623 (methyl 8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate)