NP-MRD: Showing NP-Card for methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate (NP0298084)

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Record Information

Version

2.0

Created at

2022-09-10 09:01:18 UTC

Updated at

2022-09-10 09:01:18 UTC

NP-MRD ID

NP0298084

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

Description

Methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]Nonadeca-3(8),4,6-triene-19-carboxylate belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate is found in Alstonia macrophylla and Alstonia muelleriana. Methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]Nonadeca-3(8),4,6-triene-19-carboxylate is a strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251510192D          

 38 44  0  0  0  0            999 V2000
    0.4266   -1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3134   -1.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004251510192D          

 38 44  0  0  0  0            999 V2000
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    2.9911    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5442    1.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    2.2240    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  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 18 37  1  0  0  0  0
 26 37  1  0  0  0  0
 37 38  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0298084

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1(COC(=O)C2=CC=CC=C2)C2CC3N(C\C2=C\C)C2CC11C4=CC(OC)=CC=C4N(C)C31O2

> <INCHI_IDENTIFIER>
InChI=1S/C30H32N2O6/c1-5-18-16-32-24-14-21(18)28(27(34)36-4,17-37-26(33)19-9-7-6-8-10-19)29-15-25(32)38-30(24,29)31(2)23-12-11-20(35-3)13-22(23)29/h5-13,21,24-25H,14-17H2,1-4H3/b18-5-

> <INCHI_KEY>
PRAPTEFMRAWCAM-DVZOWYKESA-N

> <FORMULA>
C30H32N2O6

> <MOLECULAR_WEIGHT>
516.594

> <EXACT_MASS>
516.226036758

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
54.00140045539931

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

> <ALOGPS_LOGP>
3.85

> <JCHEM_LOGP>
4.600408457666666

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.874052156356585

> <JCHEM_POLAR_SURFACE_AREA>
77.54

> <JCHEM_REFRACTIVITY>
141.0942

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.11e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       0.796  -3.570   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.961  -2.039   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.370  -1.416   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.613  -2.324   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.534   0.115   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.999  -0.361   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.318  -1.868   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.783  -2.344   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.928  -1.314   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.102  -3.851   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.567  -4.327   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.886  -5.834   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.741  -6.864   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.277  -6.387   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.957  -4.881   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.856  -0.053   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.046   1.071   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.074   2.578   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       0.004   3.014   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -1.325   1.990   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.799   0.421   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.863  -0.692   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.432  -2.170   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.931   2.365   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.813   2.771   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.357   1.545   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.911   1.393   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.775   0.118   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.311   0.229   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.175  -1.046   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       9.711  -0.935   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.983   1.614   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.119   2.889   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.583   2.778   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       4.472   3.925   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       4.789   5.432   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.883   3.276   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.927   4.152   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   26                                             
CONECT    6    5    7                                                       
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    5   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   37                                                  
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   19   25   38                                                  
CONECT   25   24   26                                                       
CONECT   26   25    5   27   37                                             
CONECT   27   26   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   27   35                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   18   26   38                                             
CONECT   38   37   24                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   88    0
END

View in JSmol

Synonyms

Value	Source
Methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1,.0,.0,.0,]nonadeca-3(8),4,6-triene-19-carboxylic acid	Generator
Methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3(8),4,6-triene-19-carboxylic acid	Generator

Chemical Formula

C₃₀H₃₂N₂O₆

Average Mass

516.5940 Da

Monoisotopic Mass

516.22604 Da

IUPAC Name

methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

Traditional Name

methyl (14E)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1(COC(=O)C2=CC=CC=C2)C2CC3N(C\C2=C\C)C2CC11C4=CC(OC)=CC=C4N(C)C31O2

InChI Identifier

InChI=1S/C30H32N2O6/c1-5-18-16-32-24-14-21(18)28(27(34)36-4,17-37-26(33)19-9-7-6-8-10-19)29-15-25(32)38-30(24,29)31(2)23-12-11-20(35-3)13-22(23)29/h5-13,21,24-25H,14-17H2,1-4H3/b18-5-

InChI Key

PRAPTEFMRAWCAM-DVZOWYKESA-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
Alstonia macrophylla	LOTUS Database	35616633
Alstonia muelleriana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Furanoisoflavonoids

Direct Parent

Pterocarpans

Alternative Parents

Substituents

Pterocarpan
Isoflavanol
Isoflavan
Chromane
1-benzopyran
Benzopyran
Coumaran
Benzofuran
Anisole
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
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	3.85	ALOGPS
logP	4.6	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Basic)	4.87	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	77.54 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	141.09 m³·mol⁻¹	ChemAxon
Polarizability	54 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	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 methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate (NP0298084)

MOL for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

3D MOL for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

3D SDF for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

3D-SDF for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

PDB for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

3D PDB for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

SMILES for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

INCHI for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

Structure for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)

3D Structure for NP0298084 (methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate)