NP-MRD: Showing NP-Card for 6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate (NP0287989)

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Record Information

Version

2.0

Created at

2022-09-09 17:30:19 UTC

Updated at

2022-09-09 17:30:19 UTC

NP-MRD ID

NP0287989

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate

Description

Not Available

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092219302D          

 56 57  0  0  0  0            999 V2000
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    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
  9 41  1  0  0  0  0
 41 42  1  0  0  0  0
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  8 56  1  0  0  0  0
M  END

     RDKit          3D

114115  0  0  0  0  0  0  0  0999 V2000
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 56114  1  6
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 55113  1  0
 49110  1  0
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 48108  1  0
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 46105  1  0
 46106  1  0
 45103  1  0
 45104  1  0
 44102  1  0
 42101  1  0
M  END


  Mrv1652309092219302D          

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    3.1354    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479    2.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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
  2  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
  9 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 41 44  2  0  0  0  0
 44 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
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 50 56  1  0  0  0  0
  8 56  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0287989

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=C)CC\C(=C/CC\C(COC(C)=O)=C\CC\C(C)=C/COC(C)=O)C(=O)OC1C(OC(=O)C(=C)CO)C2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C=O

> <INCHI_IDENTIFIER>
InChI=1S/C44H58O12/c1-27(2)30(5)19-20-36(17-12-16-35(26-53-34(9)48)15-10-13-28(3)21-22-52-33(8)47)44(51)55-40-37(25-46)18-11-14-29(4)23-38-39(32(7)43(50)54-38)41(40)56-42(49)31(6)24-45/h15,17-18,21,23,25,27,38-41,45H,5-7,10-14,16,19-20,22,24,26H2,1-4,8-9H3/b28-21-,29-23+,35-15-,36-17+,37-18+

> <INCHI_KEY>
QLBJSUHGWCUOJG-ZMOBHFTKSA-N

> <FORMULA>
C44H58O12

> <MOLECULAR_WEIGHT>
778.936

> <EXACT_MASS>
778.392827308

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
114

> <JCHEM_AVERAGE_POLARIZABILITY>
83.38512323825158

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl (2E,6Z,10Z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate

> <JCHEM_LOGP>
6.988357463333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.896230992794994

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8441885637513726

> <JCHEM_POLAR_SURFACE_AREA>
168.8

> <JCHEM_REFRACTIVITY>
214.01350000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl (2E,6Z,10Z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.129   2.002   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.872   1.848   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       4.321   3.816   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       5.853   3.977   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       6.623   5.311   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       6.479   2.570   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.986   2.250   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   56                                                  
CONECT    9    8   10   41                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   34                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   29                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   17   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   13   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41    9   42   44                                                  
CONECT   42   41   43                                                       
CONECT   43   42                                                            
CONECT   44   41   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   51   56                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   50    8                                                  
MASTER        0    0    0    0    0    0    0    0   56    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₄H₅₈O₁₂

Average Mass

778.9360 Da

Monoisotopic Mass

778.39283 Da

IUPAC Name

6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl (2E,6Z,10Z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate

Traditional Name

6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl (2E,6Z,10Z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate

CAS Registry Number

Not Available

SMILES

CC(C)C(=C)CC\C(=C/CC\C(COC(C)=O)=C\CC\C(C)=C/COC(C)=O)C(=O)OC1C(OC(=O)C(=C)CO)C2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C=O

InChI Identifier

InChI=1S/C44H58O12/c1-27(2)30(5)19-20-36(17-12-16-35(26-53-34(9)48)15-10-13-28(3)21-22-52-33(8)47)44(51)55-40-37(25-46)18-11-14-29(4)23-38-39(32(7)43(50)54-38)41(40)56-42(49)31(6)24-45/h15,17-18,21,23,25,27,38-41,45H,5-7,10-14,16,19-20,22,24,26H2,1-4,8-9H3/b28-21-,29-23+,35-15-,36-17+,37-18+

InChI Key

QLBJSUHGWCUOJG-ZMOBHFTKSA-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

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	6.99	ChemAxon
pKa (Strongest Acidic)	14.9	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	168.8 Å²	ChemAxon
Rotatable Bond Count	24	ChemAxon
Refractivity	214.01 m³·mol⁻¹	ChemAxon
Polarizability	83.39 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate (NP0287989)

MOL for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

3D MOL for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

3D SDF for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

3D-SDF for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

PDB for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

3D PDB for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

SMILES for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

INCHI for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

Structure for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)

3D Structure for NP0287989 (6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2e,6z,10z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate)