NP-MRD: Showing NP-Card for 19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate (NP0307466)

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Record Information

Version

2.0

Created at

2022-09-11 00:36:31 UTC

Updated at

2022-09-11 00:36:31 UTC

NP-MRD ID

NP0307466

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate

Description

19,20,22,23-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]Hexacosa-7(12),8,10-trien-15-yl benzoate belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. 19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate is found in Tripterygium wilfordii. 19,20,22,23-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]Hexacosa-7(12),8,10-trien-15-yl benzoate is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161523092D          

 63 68  0  0  0  0            999 V2000
    3.8248    4.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7978    3.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9621    3.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    2.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065    2.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3132    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0394    1.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9244    4.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648    4.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    5.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    5.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  2  0  0  0  0
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  7 12  1  0  0  0  0
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M  END

     RDKit          3D

112117  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004161523092D          

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M  END
> <DATABASE_ID>
NP0307466

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C11OC3(C)COC(=O)C3=CC=CN=C3CCC(C)(OC(=O)C3=CC=CC=C3)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C1(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(50)43(42)41(8,54)33(31(58-23(3)47)35(42)60-25(5)49)61-38(53)39(6,62-36(51)26-13-10-9-11-14-26)17-16-28-27(15-12-18-44-28)37(52)56-19-40(29,7)63-43/h9-15,18,29-35,50,54H,16-17,19-20H2,1-8H3

> <INCHI_KEY>
VMWSZLNWXFHOTG-UHFFFAOYSA-N

> <FORMULA>
C43H49NO19

> <MOLECULAR_WEIGHT>
883.853

> <EXACT_MASS>
883.289878362

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
112

> <JCHEM_AVERAGE_POLARIZABILITY>
85.3279767915262

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate

> <ALOGPS_LOGP>
2.10

> <JCHEM_LOGP>
0.7314916069999978

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.646955922391435

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.664339356530085

> <JCHEM_PKA_STRONGEST_BASIC>
2.714854837251238

> <JCHEM_POLAR_SURFACE_AREA>
272.97999999999996

> <JCHEM_REFRACTIVITY>
205.1246

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.47e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       7.140   9.187   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.089   7.394   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.394   6.298   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       5.529   6.332   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.156   5.016   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.984   3.379   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.838   4.578   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.172   4.067   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.185   2.616   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.540   2.098   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.839   3.551   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.982   5.810   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.592   8.009   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.174   9.217   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.556   9.450   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.925  10.846   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.429   5.885   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.230   7.289   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.844   7.529   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.869   9.184   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.334   6.918   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.055   8.566   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.502   5.795   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.137   4.282   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.000   2.662   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       9.264   3.299   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      10.514   1.771   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.000   0.320   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.307  -0.086   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.486   1.211   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.468  -0.209   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.860  -2.039   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.972  -0.985   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.264  -0.934   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.943   0.192   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.480  -0.533   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.210   1.737   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.333   3.093   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.830   2.009   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.206   1.657   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       3.356   0.617   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.847   0.954   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       5.769  -0.940   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.479  -2.715   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.182  -3.816   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       6.152  -4.212   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       5.249   2.427   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       6.757   1.616   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       8.793   0.991   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       9.776  -0.664   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      10.061   2.500   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       1.659   4.512   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.118   3.910   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       0.341   5.514   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0       7.837   8.202   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       8.693   9.716   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       8.632  11.361   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      10.233   9.331   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      10.946  10.697   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      12.484  10.762   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      13.310   9.462   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      12.598   8.097   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      11.059   8.032   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   38   47                                             
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    7   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   12   18   52                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23   55                                             
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   25   31                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37   41                                             
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37    6   39   52                                             
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   35   42                                                  
CONECT   42   41   43   47                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47   42    6   48                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   38   17   53   54                                             
CONECT   53   52                                                            
CONECT   54   52                                                            
CONECT   55   21   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   59   63                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   58                                                       
MASTER        0    0    0    0    0    0    0    0   63    0  136    0
END

View in JSmol

Synonyms

Value	Source
19,20,22,23-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0,.0,.0,]hexacosa-7(12),8,10-trien-15-yl benzoic acid	Generator
19,20,22,23-Tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-15-yl benzoic acid	Generator

Chemical Formula

C₄₃H₄₉NO₁₉

Average Mass

883.8530 Da

Monoisotopic Mass

883.28988 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C11OC3(C)COC(=O)C3=CC=CN=C3CCC(C)(OC(=O)C3=CC=CC=C3)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C1(C)O

InChI Identifier

InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(50)43(42)41(8,54)33(31(58-23(3)47)35(42)60-25(5)49)61-38(53)39(6,62-36(51)26-13-10-9-11-14-26)17-16-28-27(15-12-18-44-28)37(52)56-19-40(29,7)63-43/h9-15,18,29-35,50,54H,16-17,19-20H2,1-8H3

InChI Key

VMWSZLNWXFHOTG-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
Tripterygium wilfordii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Unsaturated fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	2.1	ALOGPS
logP	0.73	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.66	ChemAxon
pKa (Strongest Basic)	2.71	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	272.98 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	205.12 m³·mol⁻¹	ChemAxon
Polarizability	85.33 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

73156437

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate (NP0307466)

MOL for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

3D MOL for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

3D SDF for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

3D-SDF for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

PDB for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

3D PDB for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

SMILES for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

INCHI for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

Structure for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)

3D Structure for NP0307466 (19,20,22,23-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-15-yl benzoate)