NP-MRD: Showing NP-Card for (1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate (NP0301782)

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Record Information

Version

2.0

Created at

2022-09-10 14:57:03 UTC

Updated at

2022-09-10 14:57:03 UTC

NP-MRD ID

NP0301782

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102216572D          

 66 72  0  0  1  0            999 V2000
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M  END

     RDKit          3D

115121  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309102216572D          

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M  END
> <DATABASE_ID>
NP0301782

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@]3(OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(=O)C5=CC=CC=C5)[C@]3(O[C@]4(C)COC(=O)C3=CC=CN=C13)[C@]2(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C47H49NO18/c1-23-24(2)40(53)63-37-35(60-26(4)50)39(64-42(55)30-18-13-10-14-19-30)46(65-28(6)52)38(61-27(5)51)34(59-25(3)49)32-36(62-41(54)29-16-11-9-12-17-29)47(46,45(37,8)57)66-44(32,7)22-58-43(56)31-20-15-21-48-33(23)31/h9-21,23-24,32,34-39,57H,22H2,1-8H3/t23-,24-,32+,34+,35-,36?,37-,38-,39-,44+,45+,46-,47-/m0/s1

> <INCHI_KEY>
BSWSCSMJOUKQGT-QDJXYKRNSA-N

> <FORMULA>
C47H49NO18

> <MOLECULAR_WEIGHT>
915.898

> <EXACT_MASS>
915.294963742

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
115

> <JCHEM_AVERAGE_POLARIZABILITY>
88.53262042381034

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3S,13S,14S,17S,18S,19S,20S,21S,22R,23R,24R,25R)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-19-yl benzoate

> <JCHEM_LOGP>
3.998609163333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.665193980860149

> <JCHEM_PKA_STRONGEST_BASIC>
2.6118354007173306

> <JCHEM_POLAR_SURFACE_AREA>
252.74999999999994

> <JCHEM_REFRACTIVITY>
219.10790000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,13S,14S,17S,18S,19S,20S,21S,22R,23R,24R,25R)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-19-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.192  -9.616   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.561  -8.161   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.736  -9.257   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       0.122  -6.482   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.098  -4.428   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.871  -3.459   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.580  -4.228   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.536  -5.655   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.084  -7.419   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -5.117  -5.282   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.027  -6.525   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -7.558  -6.358   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -8.179  -4.949   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -7.269  -3.706   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.738  -3.873   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.350  -1.992   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.778  -3.055   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.602  -4.799   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.294  -5.529   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.423  -6.210   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.453  -0.798   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -3.358   0.091   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.202   0.372   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.826   0.071   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -6.255   1.639   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.898   0.693   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.457   2.605   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.831   4.226   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.930   5.691   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -0.714   5.684   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.683   0.964   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.931  -0.415   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.617  -0.495   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -2.173   0.250   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -3.552  -0.906   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -1.906   1.985   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.200   2.820   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.124   4.358   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.754   5.061   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.460   4.227   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.536   2.689   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.276  -1.677   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.656  -0.718   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.294   0.892   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       1.891   2.447   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.100   2.265   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       4.671   2.252   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       5.899   1.270   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       6.727   2.683   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       6.768  -0.035   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       7.931   0.974   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       9.387   0.472   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       9.680  -1.040   0.000  0.00  0.00           C+0
HETATM   54  N   UNK     0       8.517  -2.050   0.000  0.00  0.00           N+0
HETATM   55  C   UNK     0       7.061  -1.547   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       6.739  -3.106   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       8.025  -4.107   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       5.828  -4.384   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       6.779  -5.705   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       4.497  -5.216   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       4.992  -6.763   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0       2.934  -5.377   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       1.671  -4.421   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       2.187  -2.950   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       3.549  -3.650   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0       3.492  -2.073   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   63                                                  
CONECT    6    5    7   16                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    6   17   21   42                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   21   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32   44                                                  
CONECT   32   31   33   42                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   36                                                       
CONECT   42   32   16   43   64                                             
CONECT   43   42   44                                                       
CONECT   44   43   31   45   46                                             
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51   55                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   50   56                                                  
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63                                                       
CONECT   63   62    5   64                                                  
CONECT   64   63   42   65   66                                             
CONECT   65   64                                                            
CONECT   66   64                                                            
MASTER        0    0    0    0    0    0    0    0   66    0  144    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₇H₄₉NO₁₈

Average Mass

915.8980 Da

Monoisotopic Mass

915.29496 Da

IUPAC Name

(1S,3S,13S,14S,17S,18S,19S,20S,21S,22R,23R,24R,25R)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-19-yl benzoate

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@]3(OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(=O)C5=CC=CC=C5)[C@]3(O[C@]4(C)COC(=O)C3=CC=CN=C13)[C@]2(C)O

InChI Identifier

InChI=1S/C47H49NO18/c1-23-24(2)40(53)63-37-35(60-26(4)50)39(64-42(55)30-18-13-10-14-19-30)46(65-28(6)52)38(61-27(5)51)34(59-25(3)49)32-36(62-41(54)29-16-11-9-12-17-29)47(46,45(37,8)57)66-44(32,7)22-58-43(56)31-20-15-21-48-33(23)31/h9-21,23-24,32,34-39,57H,22H2,1-8H3/t23-,24-,32+,34+,35-,36?,37-,38-,39-,44+,45+,46-,47-/m0/s1

InChI Key

BSWSCSMJOUKQGT-QDJXYKRNSA-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
Euonymus laxiflorus	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	4	ChemAxon
pKa (Strongest Acidic)	12.67	ChemAxon
pKa (Strongest Basic)	2.61	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	252.75 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	219.11 m³·mol⁻¹	ChemAxon
Polarizability	88.53 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	Yes	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate (NP0301782)

MOL for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

3D MOL for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

3D SDF for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

3D-SDF for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

PDB for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

3D PDB for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

SMILES for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

INCHI for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

Structure for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)

3D Structure for NP0301782 ((1s,3s,13s,14s,17s,18s,19s,20s,21s,22r,23r,24r,25r)-18,20,21,22-tetrakis(acetyloxy)-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl benzoate)