NP-MRD: Showing NP-Card for (3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one (NP0235421)

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Record Information

Version

2.0

Created at

2022-09-06 18:02:03 UTC

Updated at

2022-09-06 18:02:04 UTC

NP-MRD ID

NP0235421

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one

Description

Plakortone B belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. (3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one is found in Plakortis halichondrioides. (3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one was first documented in 2006 (PMID: 17078678). Based on a literature review a small amount of articles have been published on Plakortone B (PMID: 21491517) (PMID: 20432418).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 58 59  0  0  0  0  0  0  0  0999 V2000
    5.9049    0.5940    2.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444    0.4569    1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -0.2506    0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066    0.3364    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796   -0.3327   -0.5823 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2267   -0.3329   -2.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407   -1.1411   -2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464    0.5390   -0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906    0.1469   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0359   -2.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -0.1046    0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476   -0.4963   -0.0324 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1502   -1.7464   -0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405   -2.9724   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091    0.5802   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697    0.7599    0.3182 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3118    2.2233    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6897    2.8021   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0898    0.0008   -0.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5534   -0.7214    1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5793   -1.4319    1.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6326   -0.5129    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3988    0.1537    1.5729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5302   -0.8230    1.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857   -0.2255    3.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9371    0.4986    3.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5049    1.5819    3.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9610   -0.1440    1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713    1.4680    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6049   -1.2644    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3130    1.3388   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8009   -1.3696   -0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672   -0.8031   -2.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    0.7036   -2.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2999   -0.4909   -1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8035   -1.3609   -3.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4564   -2.0537   -1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    1.5417   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864    0.7548    0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1652   -0.9591   -2.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.4567   -2.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936    0.7295   -2.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2057    0.0248    1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2722   -1.9500   -0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9945   -1.6627   -1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799   -3.1536    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479   -2.9130   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596   -3.8267   -0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2742    1.5580   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626    0.3134   -1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269    2.4080    1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3508    2.7218    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3329    3.8437   -0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776    2.1981   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7878    2.7110   -1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1277    0.1463    2.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3831   -1.5169    2.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269    0.9324    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 12 11  1  1
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  1
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 12  1  0
 23 16  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  1
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 18 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  1
M  END


  Mrv1652309062220022D          

 24 25  0  0  1  0            999 V2000
   -0.9816    5.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1532    4.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401    3.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116    3.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985    2.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861    2.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    2.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    1.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    1.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1277    1.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1715   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431   -1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0542    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 O   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  1  0  0  0
 12 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235421

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC\C=C\C(CC)C\C(C)=C\[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1

> <INCHI_IDENTIFIER>
InChI=1S/C21H34O3/c1-6-10-11-17(7-2)12-16(5)14-20(8-3)15-21(9-4)18(23-20)13-19(22)24-21/h10-11,14,17-18H,6-9,12-13,15H2,1-5H3/b11-10+,16-14+/t17?,18-,20-,21-/m1/s1

> <INCHI_KEY>
UXORUSKBVACZHJ-YWYWTQABSA-N

> <FORMULA>
C21H34O3

> <MOLECULAR_WEIGHT>
334.5

> <EXACT_MASS>
334.250794955

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
39.409203720230536

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aR,5S,6aR)-5,6a-diethyl-5-[(1E,5E)-4-ethyl-2-methylocta-1,5-dien-1-yl]-hexahydrofuro[3,2-b]furan-2-one

> <JCHEM_LOGP>
5.4416042440000005

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.239786572453149

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
99.21739999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,5S,6aR)-5,6a-diethyl-5-[(1E,5E)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3H-furo[3,2-b]furan-2-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.832   9.671   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.153   8.165   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.008   7.135   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.328   5.628   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.184   4.598   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.281   5.074   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.425   4.043   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.504   3.091   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.640   2.061   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.105   2.537   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.320   0.555   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.320  -1.506   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.640  -3.013   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.834   0.294   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.834   1.834   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.168   2.604   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.299   0.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.204  -0.476   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.744  -0.476   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.370  -1.722   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   15   24                                             
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17   19   23                                             
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   16   24                                                  
CONECT   24   23   12                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₄O₃

Average Mass

334.5000 Da

Monoisotopic Mass

334.25079 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC\C=C\C(CC)C\C(C)=C\[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1

InChI Identifier

InChI=1S/C21H34O3/c1-6-10-11-17(7-2)12-16(5)14-20(8-3)15-21(9-4)18(23-20)13-19(22)24-21/h10-11,14,17-18H,6-9,12-13,15H2,1-5H3/b11-10+,16-14+/t17?,18-,20-,21-/m1/s1

InChI Key

UXORUSKBVACZHJ-YWYWTQABSA-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
Plakortis halichondrioides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furofurans

Sub Class

Not Available

Direct Parent

Furofurans

Alternative Parents

Substituents

Furofuran
Gamma butyrolactone
Monosaccharide
Oxolane
Carboxylic acid ester
Lactone
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
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

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

101056657

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sun XY, Tian XY, Li ZW, Peng XS, Wong HN: Total synthesis of plakortide E and biomimetic synthesis of plakortone B. Chemistry. 2011 May 16;17(21):5874-80. doi: 10.1002/chem.201003309. Epub 2011 Apr 13. [PubMed:21491517 ]
Xie XG, Wu XW, Lee HK, Peng XS, Wong HN: Total synthesis of plakortone B. Chemistry. 2010 Jun 18;16(23):6933-41. doi: 10.1002/chem.201000189. [PubMed:20432418 ]
Semmelhack MF, Hooley RJ, Kraml CM: Synthesis of plakortone B and analogs. Org Lett. 2006 Nov 9;8(23):5203-6. doi: 10.1021/ol0618656. [PubMed:17078678 ]
LOTUS database [Link]

Showing NP-Card for (3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one (NP0235421)

MOL for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

3D MOL for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

3D SDF for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

3D-SDF for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

PDB for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

3D PDB for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

SMILES for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

INCHI for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

Structure for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)

3D Structure for NP0235421 ((3ar,5s,6ar)-5,6a-diethyl-5-[(1e,5e)-4-ethyl-2-methylocta-1,5-dien-1-yl]-dihydro-3h-furo[3,2-b]furan-2-one)