NP-MRD: Showing NP-Card for 1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate (NP0193781)

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Record Information

Version

2.0

Created at

2022-09-04 11:19:45 UTC

Updated at

2022-09-04 11:19:45 UTC

NP-MRD ID

NP0193781

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate

Description

1,3,5,9-Tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-10-yl deca-2,4-dienoate belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. Based on a literature review very few articles have been published on 1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-10-yl deca-2,4-dienoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042213192D          

 49 51  0  0  0  0            999 V2000
  -13.9652   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1148   -2.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.7247   -2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4386   -3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  7  9  1  0  0  0  0
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 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
  7 38  1  0  0  0  0
 29 38  1  0  0  0  0
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 29 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
M  END

     RDKit          3D

101103  0  0  0  0  0  0  0  0999 V2000
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 48100  1  0
 48101  1  0
M  END


  Mrv1652309042213192D          

 49 51  0  0  0  0            999 V2000
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   -6.3399   -4.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1045   -5.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900   -6.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756   -5.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9611   -6.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466   -5.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -6.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177   -5.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6797   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8003   -5.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5674   -6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2139   -5.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9329   -6.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2820   -6.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8899   -7.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1253   -7.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0613   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7791   -6.9181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2426   -7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3853   -7.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3420   -8.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4841   -5.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8663   -4.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9479   -4.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0471   -4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5376   -3.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3328   -4.8596    0.0000 O   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  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 29 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0193781

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC=CC=CC(=O)OC1C(OC(C)=O)C(C)C(C)(CCC(=C)C=C)C2CC(OC(C)=O)C=C3C(OC(C)=O)OC(OC(C)=O)C123

> <INCHI_IDENTIFIER>
InChI=1S/C38H52O11/c1-10-12-13-14-15-16-17-18-32(43)48-34-33(45-26(6)40)24(4)37(9,20-19-23(3)11-2)31-22-29(44-25(5)39)21-30-35(46-27(7)41)49-36(38(30,31)34)47-28(8)42/h11,15-18,21,24,29,31,33-36H,2-3,10,12-14,19-20,22H2,1,4-9H3

> <INCHI_KEY>
QULKHTBAJDJGJB-UHFFFAOYSA-N

> <FORMULA>
C38H52O11

> <MOLECULAR_WEIGHT>
684.823

> <EXACT_MASS>
684.350962494

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
73.98282453205015

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate

> <JCHEM_LOGP>
6.436613701333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.545680766821078

> <JCHEM_POLAR_SURFACE_AREA>
140.73000000000002

> <JCHEM_REFRACTIVITY>
181.53910000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0     -26.068  -3.679   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -24.481  -3.754   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -23.536  -5.054   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -24.482  -6.352   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -21.886  -4.970   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -20.610  -6.025   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -19.051  -6.648   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -19.283  -5.024   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -17.619  -6.081   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -17.417  -4.444   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -16.412  -7.038   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -15.497  -5.431   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -14.650  -3.907   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -14.886  -2.373   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -13.094  -3.345   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -16.464  -8.162   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -14.941  -9.364   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -13.159  -9.303   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -11.835  -8.032   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0     -12.253 -10.739   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -10.862 -11.542   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -9.528 -10.772   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.195 -11.542   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.861 -10.772   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.527 -11.542   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.194 -10.772   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.860 -11.542   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.526 -10.772   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -18.069  -9.128   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -18.294 -10.652   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -19.726 -11.218   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -20.933 -10.262   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0     -22.275 -11.215   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -22.926 -12.709   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -22.195 -14.127   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0     -24.501 -13.161   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0     -20.708  -8.738   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -19.276  -8.172   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -16.915 -11.336   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0     -16.388 -12.914   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -15.386 -14.211   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -13.786 -14.502   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -15.572 -15.799   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0     -15.837 -10.236   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0     -16.550  -8.871   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0     -14.836  -8.180   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0     -13.155  -7.840   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -12.203  -6.501   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0     -11.821  -9.071   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                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   38                                             
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   29                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   16   30   38   45                                             
CONECT   30   29   31   39                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32   38                                                       
CONECT   38   37    7   29                                                  
CONECT   39   30   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   39   45                                                       
CONECT   45   44   29   46                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  102    0
END

View in JSmol

Synonyms

Value	Source
1,3,5,9-Tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6ah,7H,8H,9H,10H-naphtho[4,4a-c]furan-10-yl deca-2,4-dienoic acid	Generator

Chemical Formula

C₃₈H₅₂O₁₁

Average Mass

684.8230 Da

Monoisotopic Mass

684.35096 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCC=CC=CC(=O)OC1C(OC(C)=O)C(C)C(C)(CCC(=C)C=C)C2CC(OC(C)=O)C=C3C(OC(C)=O)OC(OC(C)=O)C123

InChI Identifier

InChI=1S/C38H52O11/c1-10-12-13-14-15-16-17-18-32(43)48-34-33(45-26(6)40)24(4)37(9,20-19-23(3)11-2)31-22-29(44-25(5)39)21-30-35(46-27(7)41)49-36(38(30,31)34)47-28(8)42/h11,15-18,21,24,29,31,33-36H,2-3,10,12-14,19-20,22H2,1,4-9H3

InChI Key

QULKHTBAJDJGJB-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Substituents

Clerodane diterpenoid
Pentacarboxylic acid or derivatives
Naphthofuran
Fatty acid ester
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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

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

75971629

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate (NP0193781)

MOL for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

3D MOL for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

3D SDF for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

3D-SDF for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

PDB for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

3D PDB for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

SMILES for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

INCHI for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

Structure for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)

3D Structure for NP0193781 (1,3,5,9-tetrakis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl deca-2,4-dienoate)