NP-MRD: Showing NP-Card for 3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate (NP0306812)

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Record Information

Version

2.0

Created at

2022-09-10 23:31:49 UTC

Updated at

2022-09-10 23:31:49 UTC

NP-MRD ID

NP0306812

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate

Description

3-{[9-(Acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Based on a literature review very few articles have been published on 3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112201312D          

 36 37  0  0  0  0            999 V2000
    1.8304   -1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561   -0.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173    0.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3809    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6722    1.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    1.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7776    2.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9037   -0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6124   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070   -1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929   -1.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015   -2.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243   -3.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7384   -3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330   -4.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189   -4.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -3.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1558   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699   -4.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014   -6.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3068   -5.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296   -5.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6437   -5.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665   -6.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701   -1.2843    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 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
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 16 15  1  4  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 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
 24 25  2  0  0  0  0
 25 26  1  4  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  4  0  0  0
 34 35  1  0  0  0  0
 20 36  1  0  0  0  0
  2 36  1  0  0  0  0
  6 36  1  0  0  0  0
M  END


  Mrv1652309112201312D          

 36 37  0  0  0  0            999 V2000
    1.8304   -1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561   -0.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173    0.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3809    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6722    1.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    1.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7776    2.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9037   -0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6124   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070   -1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929   -1.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015   -2.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243   -3.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7384   -3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330   -4.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189   -4.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -3.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1558   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699   -4.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014   -6.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3068   -5.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296   -5.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6437   -5.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665   -6.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701   -1.2843    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 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
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 16 15  1  4  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 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
 24 25  2  0  0  0  0
 25 26  1  4  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  4  0  0  0
 34 35  1  0  0  0  0
 20 36  1  0  0  0  0
  2 36  1  0  0  0  0
  6 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306812

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(COC(=O)C(O)=CCO)C(=O)OC1CC(C)=CCC(OC(C)=O)C(C)=CC2OC(=O)C(=C)C12

> <INCHI_IDENTIFIER>
InChI=1S/C26H32O10/c1-6-18(13-33-26(32)19(29)9-10-27)25(31)36-21-11-14(2)7-8-20(34-17(5)28)15(3)12-22-23(21)16(4)24(30)35-22/h6-7,9,12,20-23,27,29H,4,8,10-11,13H2,1-3,5H3

> <INCHI_KEY>
NYFGDXGENWFKSA-UHFFFAOYSA-N

> <FORMULA>
C26H32O10

> <MOLECULAR_WEIGHT>
504.532

> <EXACT_MASS>
504.19954723

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
50.88162869700717

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate

> <JCHEM_LOGP>
2.6314431753333323

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.756476299438003

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.342173172176151

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5931980735533458

> <JCHEM_POLAR_SURFACE_AREA>
145.66000000000003

> <JCHEM_REFRACTIVITY>
131.00339999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-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       3.417  -3.528   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.379  -2.326   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.972  -0.840   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.531  -0.296   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.259   0.006   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.461  -0.957   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.981  -0.707   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.525   0.734   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.549   1.925   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.044   0.983   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.588   2.424   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      12.108   2.673   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.084   1.482   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.652   4.114   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      11.020  -0.208   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.476  -1.649   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.957  -1.898   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.467  -1.508   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.413  -3.339   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.893  -3.589   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.350  -5.030   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.325  -6.221   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.845  -5.971   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.782  -7.662   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.262  -7.911   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.286  -6.720   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.758  -8.853   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.277  -8.604   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      10.253  -9.795   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.709 -11.236   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      11.773  -9.545   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      12.317  -8.105   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      12.749 -10.737   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.268 -10.487   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      15.244 -11.679   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.917  -2.397   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   36                                                  
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   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   10   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   36                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   20    2    6                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   74    0
END

View in JSmol

Synonyms

Value	Source
3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoic acid	Generator

Chemical Formula

C₂₆H₃₂O₁₀

Average Mass

504.5320 Da

Monoisotopic Mass

504.19955 Da

IUPAC Name

3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate

Traditional Name

3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate

CAS Registry Number

Not Available

SMILES

CC=C(COC(=O)C(O)=CCO)C(=O)OC1CC(C)=CCC(OC(C)=O)C(C)=CC2OC(=O)C(=C)C12

InChI Identifier

InChI=1S/C26H32O10/c1-6-18(13-33-26(32)19(29)9-10-27)25(31)36-21-11-14(2)7-8-20(34-17(5)28)15(3)12-22-23(21)16(4)24(30)35-22/h6-7,9,12,20-23,27,29H,4,8,10-11,13H2,1-3,5H3

InChI Key

NYFGDXGENWFKSA-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 germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Germacranolides and derivatives

Alternative Parents

Substituents

Germacranolide
Germacrane sesquiterpenoid
Sesquiterpenoid
Tetracarboxylic acid or derivatives
Fatty acid ester
Gamma butyrolactone
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Enol
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
Primary alcohol
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	2.63	ChemAxon
pKa (Strongest Acidic)	9.34	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	145.66 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	131 m³·mol⁻¹	ChemAxon
Polarizability	50.88 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

163043462

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate (NP0306812)

MOL for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

3D MOL for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

3D SDF for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

3D-SDF for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

PDB for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

3D PDB for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

SMILES for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

INCHI for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

Structure for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)

3D Structure for NP0306812 (3-{[9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl 2,4-dihydroxybut-2-enoate)