NP-MRD: Showing NP-Card for {6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid (NP0203941)

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Record Information

Version

2.0

Created at

2022-09-04 23:31:32 UTC

Updated at

2022-09-04 23:31:32 UTC

NP-MRD ID

NP0203941

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid

Description

2-{6-Methoxy-4-methyl-6-[(4E,6E)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid belongs to the class of organic compounds known as 1,2-dioxanes. These are organic compounds containing 1,2-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 2. Based on a literature review very few articles have been published on 2-{6-methoxy-4-methyl-6-[(4E,6E)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 50  0  0  0  0  0  0  0  0999 V2000
    7.8265    0.2479    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5134    0.2585   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132    0.1864    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377    0.0998    1.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0800    0.1927   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.1214    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618    0.1327   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -1.0957   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3967   -1.3545   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729   -0.4490   -0.6412 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5177    0.7257   -1.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630    1.9029   -1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253   -0.5822    0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.5905    0.8664 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1379   -1.9711    1.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3199   -0.1586   -0.3560 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9218    1.2252   -0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9123    1.3507    0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6402    1.5941    1.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2716    1.1889    0.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5495   -0.2336   -1.5133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111   -1.1663   -1.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9458   -0.6322    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0574    1.1872    0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    0.1192   -0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4473    0.3235   -1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589    0.9774    2.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554    0.2253    2.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0305   -0.8178    2.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204    0.2610   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155    0.0553    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    0.9679    0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710    0.4398   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.2436    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713   -1.9776   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752   -1.5892   -1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -2.3754   -0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041    2.5586   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    2.1114   -1.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185    2.5372   -1.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    0.1793    1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7569   -1.5659    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9051    0.0891    1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -2.5726    1.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4437   -2.5293    0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9636   -1.8788    2.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984   -0.8430   -0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3356    1.5151   -1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0607    1.9121   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5694    0.9405   -0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 10 11  1  6
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  2  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  2  1  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
 16 21  1  0
 21 22  1  0
 22 10  1  0
 12 38  1  0
 12 39  1  0
 12 40  1  0
  9 36  1  0
  9 37  1  0
  8 34  1  0
  8 35  1  0
  7 32  1  0
  7 33  1  0
  6 31  1  0
  5 30  1  0
  4 27  1  0
  4 28  1  0
  4 29  1  0
  2 26  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  1
 15 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  6
 17 48  1  0
 17 49  1  0
 20 50  1  0
M  END


  Mrv1652309052201312D          

 22 22  0  0  0  0            999 V2000
    0.3642    6.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    5.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320    3.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501    2.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  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  1  0  0  0  0
 10 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  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0203941

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1(CCC\C=C\C(\C)=C\C)CC(C)C(CC(O)=O)OO1

> <INCHI_IDENTIFIER>
InChI=1S/C17H28O5/c1-5-13(2)9-7-6-8-10-17(20-4)12-14(3)15(21-22-17)11-16(18)19/h5,7,9,14-15H,6,8,10-12H2,1-4H3,(H,18,19)/b9-7+,13-5+

> <INCHI_KEY>
RVGXWFORWDIYTP-UERWBXDNSA-N

> <FORMULA>
C17H28O5

> <MOLECULAR_WEIGHT>
312.406

> <EXACT_MASS>
312.193674002

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
35.73063247647994

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{6-methoxy-4-methyl-6-[(4E,6E)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid

> <JCHEM_LOGP>
3.9763193369999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.353993177936854

> <JCHEM_PKA_STRONGEST_BASIC>
-4.235820788371181

> <JCHEM_POLAR_SURFACE_AREA>
64.99000000000001

> <JCHEM_REFRACTIVITY>
86.06389999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
{6-methoxy-4-methyl-6-[(4E,6E)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       0.680  11.905   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.207  10.458   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.217   9.278   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.300   9.546   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.743   7.831   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.246   6.651   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.280   5.204   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.797   4.937   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.324   3.490   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.344   3.490   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.173   3.222   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000   1.540   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                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   13   22                                             
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   22                                                       
CONECT   22   21   10                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
2-{6-methoxy-4-methyl-6-[(4E,6E)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetate	Generator

Chemical Formula

C₁₇H₂₈O₅

Average Mass

312.4060 Da

Monoisotopic Mass

312.19367 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1(CCC\C=C\C(\C)=C\C)CC(C)C(CC(O)=O)OO1

InChI Identifier

InChI=1S/C17H28O5/c1-5-13(2)9-7-6-8-10-17(20-4)12-14(3)15(21-22-17)11-16(18)19/h5,7,9,14-15H,6,8,10-12H2,1-4H3,(H,18,19)/b9-7+,13-5+

InChI Key

RVGXWFORWDIYTP-UERWBXDNSA-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 1,2-dioxanes. These are organic compounds containing 1,2-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 2.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dioxanes

Sub Class

1,2-dioxanes

Direct Parent

1,2-dioxanes

Alternative Parents

Substituents

Ortho-dioxane
Dialkyl peroxide
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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

10476330

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21774316

PDB ID

Not Available

ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for {6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid (NP0203941)

MOL for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

3D MOL for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

3D SDF for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

3D-SDF for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

PDB for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

3D PDB for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

SMILES for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

INCHI for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

Structure for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)

3D Structure for NP0203941 ({6-methoxy-4-methyl-6-[(4e,6e)-6-methylocta-4,6-dien-1-yl]-1,2-dioxan-3-yl}acetic acid)