NP-MRD: Showing NP-Card for 19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate (NP0212519)

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Record Information

Version

2.0

Created at

2022-09-05 11:12:49 UTC

Updated at

2022-09-05 11:12:49 UTC

NP-MRD ID

NP0212519

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate

Description

19,22,23,25-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]Hexacosa-7(12),8,10-trien-20-yl benzoate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. 19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate is found in Pleurostylia opposita. 19,22,23,25-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]Hexacosa-7(12),8,10-trien-20-yl benzoate is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171515222D          

 62 67  0  0  0  0            999 V2000
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M  END

     RDKit          3D

113118  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004171515222D          

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M  END
> <DATABASE_ID>
NP0212519

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1CCC(=O)OC2C(C)C34OC(C)(COC(=O)C5=CC=CN=C15)C(C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4(COC(C)=O)C(OC(=O)C1=CC=CC=C1)C2OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(58-26(6)49)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(59-27(7)50)43(44,21-54-23(3)46)39(36(34)57-25(5)48)61-40(52)29-14-11-10-12-15-29/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3

> <INCHI_KEY>
PWFIPRRXNKFZDH-UHFFFAOYSA-N

> <FORMULA>
C44H51NO17

> <MOLECULAR_WEIGHT>
865.882

> <EXACT_MASS>
865.315699186

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
113

> <JCHEM_AVERAGE_POLARIZABILITY>
85.50783435890796

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate

> <ALOGPS_LOGP>
3.40

> <JCHEM_LOGP>
3.046388156999996

> <ALOGPS_LOGS>
-4.65

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.6255548373634783

> <JCHEM_POLAR_SURFACE_AREA>
232.51999999999995

> <JCHEM_REFRACTIVITY>
206.77569999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.93e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       7.856  -3.794   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.775  -1.904   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.785   0.068   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.376  -0.820   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.751  -0.879   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.114   0.021   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.417  -0.592   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.021   1.271   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.509   2.058   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.403   3.306   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.791   4.413   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.005   3.083   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.353   4.686   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.981   5.048   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.322   6.579   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.574   5.659   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.192   5.606   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.407   4.605   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.844   5.493   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       8.217   2.944   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.733   3.219   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.728   2.044   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.208   0.594   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       8.693   0.319   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       7.697   1.494   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.624   3.607   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.863   2.111   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.876   2.840   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.083   4.531   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.429   4.611   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.226   6.002   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.959   0.987   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.588  -1.105   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       5.988  -0.048   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.906   1.911   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.807  -0.574   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.369   1.428   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.994  -0.234   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.829  -0.236   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.644  -2.193   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       7.087  -3.086   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       5.803  -3.858   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.241   0.188   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       0.608  -1.709   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -0.043  -3.343   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -1.569  -3.860   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       1.085  -4.617   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       2.625  -4.601   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       3.410  -5.926   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.654  -7.268   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       1.114  -7.285   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       0.330  -5.959   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -0.258   0.552   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      -1.976   0.344   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      -3.618   0.469   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      -4.859  -0.561   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0      -4.303   1.881   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       3.194   3.261   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0       3.770   2.086   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0       5.065   1.133   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       6.836   1.542   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0       3.937  -0.002   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   25                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   53                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   37   58                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   16   26                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24    3   20                                                  
CONECT   26   14   27   58                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   27   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32   12   38   43                                             
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   37   44   53                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   52                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   47                                                       
CONECT   53   43    9   54                                                  
CONECT   54   53   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55                                                            
CONECT   58   26   12   59                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60                                                            
MASTER        0    0    0    0    0    0    0    0   62    0  134    0
END

View in JSmol

Synonyms

Value	Source
19,22,23,25-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0,.0,.0,]hexacosa-7(12),8,10-trien-20-yl benzoic acid	Generator
19,22,23,25-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-20-yl benzoic acid	Generator

Chemical Formula

C₄₄H₅₁NO₁₇

Average Mass

865.8820 Da

Monoisotopic Mass

865.31570 Da

IUPAC Name

19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate

Traditional Name

19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate

CAS Registry Number

Not Available

SMILES

CCC1CCC(=O)OC2C(C)C34OC(C)(COC(=O)C5=CC=CN=C15)C(C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4(COC(C)=O)C(OC(=O)C1=CC=CC=C1)C2OC(C)=O

InChI Identifier

InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(58-26(6)49)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(59-27(7)50)43(44,21-54-23(3)46)39(36(34)57-25(5)48)61-40(52)29-14-11-10-12-15-29/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3

InChI Key

PWFIPRRXNKFZDH-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

Species Name	Source	Reference
Pleurostylia opposita	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Agarofuran
Sesquiterpenoid
Benzoate ester
Benzoic acid or derivatives
Pyridine carboxylic acid
Benzoyl
Oxepane
Monocyclic benzene moiety
Monosaccharide
Benzenoid
Pyridine
Heteroaromatic compound
Tetrahydrofuran
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Dialkyl ether
Ether
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Organooxygen 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
logP	3.4	ALOGPS
logP	3.05	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Basic)	2.63	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	232.52 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	206.78 m³·mol⁻¹	ChemAxon
Polarizability	85.51 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate (NP0212519)

MOL for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

3D MOL for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

3D SDF for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

3D-SDF for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

PDB for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

3D PDB for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

SMILES for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

INCHI for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

Structure for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)

3D Structure for NP0212519 (19,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-20-yl benzoate)