NP-MRD: Showing NP-Card for 5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate (NP0314718)

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Record Information

Version

2.0

Created at

2022-09-11 12:58:00 UTC

Updated at

2022-09-11 12:58:00 UTC

NP-MRD ID

NP0314718

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate

Description

5,9-Dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]Tetradecan-13-yl 2-methylbut-2-enoate belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Based on a literature review very few articles have been published on 5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]Tetradecan-13-yl 2-methylbut-2-enoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112214582D          

 32 35  0  0  0  0            999 V2000
    2.8295   -3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5119   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -3.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -2.9872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -4.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543   -5.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634   -4.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0126   -2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5134   -1.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3318   -1.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1503   -1.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -0.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679   -1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0928   -2.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7982   -1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5589   -2.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6093   -1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7718   -0.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535   -0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1727   -0.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969    1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4978    1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603    1.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -1.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  4  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  4  0  0  0
 19 32  1  0  0  0  0
  2 32  1  0  0  0  0
 14 32  1  0  0  0  0
M  END


  Mrv1652309112214582D          

 32 35  0  0  0  0            999 V2000
    2.8295   -3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5119   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -3.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -2.9872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -4.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543   -5.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634   -4.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0126   -2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5134   -1.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3318   -1.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1503   -1.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -0.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679   -1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0928   -2.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7982   -1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5589   -2.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6093   -1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7718   -0.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535   -0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1727   -0.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969    1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4978    1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603    1.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -1.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  4  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  4  0  0  0
 19 32  1  0  0  0  0
  2 32  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0314718

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(C)C(=O)OC1C2OC2C2(C)CCC3C(OC(=O)C3(C)OC(=O)C(C)=CC)C2C1=C

> <INCHI_IDENTIFIER>
InChI=1S/C25H32O7/c1-8-12(3)21(26)30-17-14(5)16-18-15(10-11-24(16,6)20-19(17)29-20)25(7,23(28)31-18)32-22(27)13(4)9-2/h8-9,15-20H,5,10-11H2,1-4,6-7H3

> <INCHI_KEY>
ITIXSFSWARPDRT-UHFFFAOYSA-N

> <FORMULA>
C25H32O7

> <MOLECULAR_WEIGHT>
444.524

> <EXACT_MASS>
444.21480337

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
48.076625428921844

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0^{2,6}.0^{10,12}]tetradecan-13-yl 2-methylbut-2-enoate

> <JCHEM_LOGP>
4.717411982333335

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.226184568820287

> <JCHEM_POLAR_SURFACE_AREA>
91.43

> <JCHEM_REFRACTIVITY>
116.0832

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0^{2,6}.0^{10,12}]tetradecan-13-yl 2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       5.282  -6.220   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.350  -4.994   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.822  -5.188   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.226  -6.608   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.699  -6.802   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.233  -5.576   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.103  -8.222   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.035  -9.448   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.425  -8.416   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.021  -9.836   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.890  -3.962   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.958  -2.736   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.486  -2.542   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.014  -2.348   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.082  -1.122   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.610  -0.928   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.137  -0.734   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.069  -1.960   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.473  -3.380   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.640  -4.385   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.957  -3.587   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.377  -4.183   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.604  -2.088   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.053  -1.565   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.907  -0.578   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      10.367  -0.086   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      11.522  -1.103   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      10.670   1.424   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.514   2.442   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.129   1.916   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.433   3.426   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.946  -3.574   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   32                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9                                                            
CONECT   11    3   12   13                                                  
CONECT   12   11   13                                                       
CONECT   13   12   11   14                                                  
CONECT   14   13   15   16   32                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   32                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   18   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30                                                            
CONECT   32   19    2   14                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

View in JSmol

Synonyms

Value	Source
5,9-Dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0,.0,]tetradecan-13-yl 2-methylbut-2-enoic acid	Generator

Chemical Formula

C₂₅H₃₂O₇

Average Mass

444.5240 Da

Monoisotopic Mass

444.21480 Da

IUPAC Name

5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0^{2,6}.0^{10,12}]tetradecan-13-yl 2-methylbut-2-enoate

Traditional Name

5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0^{2,6}.0^{10,12}]tetradecan-13-yl 2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC=C(C)C(=O)OC1C2OC2C2(C)CCC3C(OC(=O)C3(C)OC(=O)C(C)=CC)C2C1=C

InChI Identifier

InChI=1S/C25H32O7/c1-8-12(3)21(26)30-17-14(5)16-18-15(10-11-24(16,6)20-19(17)29-20)25(7,23(28)31-18)32-22(27)13(4)9-2/h8-9,15-20H,5,10-11H2,1-4,6-7H3

InChI Key

ITIXSFSWARPDRT-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Substituents

Eudesmanolide
Sesquiterpenoid
Naphthofuran
Tricarboxylic acid or derivatives
Fatty acid ester
Oxepane
Gamma butyrolactone
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	4.72	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	91.43 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	116.08 m³·mol⁻¹	ChemAxon
Polarizability	48.08 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

73172909

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate (NP0314718)

MOL for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

3D MOL for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

3D SDF for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

3D-SDF for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

PDB for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

3D PDB for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

SMILES for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

INCHI for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

Structure for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)

3D Structure for NP0314718 (5,9-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradecan-13-yl 2-methylbut-2-enoate)