NP-MRD: Showing NP-Card for ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate (NP0304201)

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Record Information

Version

2.0

Created at

2022-09-10 19:07:13 UTC

Updated at

2022-09-10 19:07:13 UTC

NP-MRD ID

NP0304201

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate

Description

Ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]Heptadeca-2(11),3,9-trien-15-yl]butanoate belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate is found in Cryptocarya obovata. Ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]Heptadeca-2(11),3,9-trien-15-yl]butanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241511292D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004241511292D          

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    2.6285   -1.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6512    1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3858    2.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782    1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    0.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442    2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206    3.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5319    3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    4.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2733    4.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    4.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856    3.7373    0.0000 C   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  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 18 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 11 27  1  0  0  0  0
 16 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 34 13  1  4  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0304201

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCOC(=O)CCCC1CC2CC(O1)(OC1=CC3=C(C(=O)CC(O3)C3=CC=CC=C3)C(O)=C21)C=CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H34O7/c1-2-38-30(36)15-9-14-25-18-24-21-34(40-25,17-16-22-10-5-3-6-11-22)41-29-20-28-32(33(37)31(24)29)26(35)19-27(39-28)23-12-7-4-8-13-23/h3-8,10-13,16-17,20,24-25,27,37H,2,9,14-15,18-19,21H2,1H3

> <INCHI_KEY>
PBUGPZVNGOXMPZ-UHFFFAOYSA-N

> <FORMULA>
C34H34O7

> <MOLECULAR_WEIGHT>
554.639

> <EXACT_MASS>
554.230453435

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
61.91910600163

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate

> <ALOGPS_LOGP>
5.73

> <JCHEM_LOGP>
7.212102664666667

> <ALOGPS_LOGS>
-6.09

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.88881489795051

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.099694758927976

> <JCHEM_PKA_STRONGEST_BASIC>
-4.209555598664647

> <JCHEM_POLAR_SURFACE_AREA>
91.29

> <JCHEM_REFRACTIVITY>
154.77699999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.49e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -6.661  -6.554   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.210  -6.038   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.931  -4.523   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -3.480  -4.008   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.308  -5.006   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.201  -2.493   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.750  -1.977   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.472  -0.463   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.021   0.053   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.011  -1.090   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.549  -1.168   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.401   0.559   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.201   2.623   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.058   1.591   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       2.739   2.545   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.771   1.401   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.142   2.102   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.435   1.265   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.806   1.966   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.099   1.129   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.020  -0.409   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.649  -1.110   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.570  -2.648   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.356  -0.273   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.985  -0.974   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.906  -2.512   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       3.693  -0.137   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.470   1.830   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.549   3.368   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.920   4.069   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.213   3.232   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.134   1.694   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.763   0.993   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.685   4.074   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.829   4.353   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.345   5.804   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.860   6.083   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.376   7.534   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.377   8.706   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.862   8.427   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.346   6.976   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   27                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15   34                                             
CONECT   14   13    9                                                       
CONECT   15   13   16                                                       
CONECT   16   15   17   27                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   18   25                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   11   16                                                  
CONECT   28   20   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   28                                                       
CONECT   34   13   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   36                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

View in JSmol

Synonyms

Value	Source
Ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0,.0,]heptadeca-2(11),3,9-trien-15-yl]butanoic acid	Generator
Ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2(11),3,9-trien-15-yl]butanoic acid	Generator

Chemical Formula

C₃₄H₃₄O₇

Average Mass

554.6390 Da

Monoisotopic Mass

554.23045 Da

IUPAC Name

ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate

Traditional Name

ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate

CAS Registry Number

Not Available

SMILES

CCOC(=O)CCCC1CC2CC(O1)(OC1=CC3=C(C(=O)CC(O3)C3=CC=CC=C3)C(O)=C21)C=CC1=CC=CC=C1

InChI Identifier

InChI=1S/C34H34O7/c1-2-38-30(36)15-9-14-25-18-24-21-34(40-25,17-16-22-10-5-3-6-11-22)41-29-20-28-32(33(37)31(24)29)26(35)19-27(39-28)23-12-7-4-8-13-23/h3-8,10-13,16-17,20,24-25,27,37H,2,9,14-15,18-19,21H2,1H3

InChI Key

PBUGPZVNGOXMPZ-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
Cryptocarya obovata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Pyranoflavonoids

Direct Parent

Pyranoflavonoids

Alternative Parents

Substituents

Pyranoflavonoid
5-hydroxyflavonoid
Hydroxyflavonoid
Flavanone
Flavan
Pyranochromene
Chromone
Chromane
1-benzopyran
Benzopyran
Styrene
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Fatty acid ester
Ketal
Alkyl aryl ether
Fatty acyl
Oxane
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Carboxylic acid ester
Ketone
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Acetal
Organooxygen compound
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
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
logP	5.73	ALOGPS
logP	7.21	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	9.1	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	91.29 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	154.78 m³·mol⁻¹	ChemAxon
Polarizability	61.92 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 ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate (NP0304201)

MOL for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

3D MOL for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

3D SDF for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

3D-SDF for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

PDB for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

3D PDB for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

SMILES for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

INCHI for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

Structure for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)

3D Structure for NP0304201 (ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate)