NP-MRD: Showing NP-Card for (9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate (NP0208264)

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Record Information

Version

2.0

Created at

2022-09-05 05:11:40 UTC

Updated at

2022-09-05 05:11:40 UTC

NP-MRD ID

NP0208264

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate

Description

Achillolide A belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. (9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate is found in Achillea fragrantissima. (9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate was first documented in 2015 (PMID: 25654405). Based on a literature review a small amount of articles have been published on Achillolide A (PMID: 29546477) (PMID: 28401371) (PMID: 26950103).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -0.7310   -3.4278   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2626   -2.3480    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574   -1.4971    1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634   -0.8784    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    0.4979   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840    1.5077   -0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    1.4728   -0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3644    1.7210   -2.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6258    2.6130   -1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556    3.7390   -1.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380    2.2075   -0.9700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380    0.9686   -0.3069 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1766    1.2623    1.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    0.8494    1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3286   -0.0141    0.9837 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5831    0.2615   -0.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041    0.6676   -0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    0.9501   -2.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736    0.8048   -0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0151   -1.4695    1.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559   -2.1194    0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -2.5433   -0.7717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -3.6393   -0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -4.1265   -0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8702   -2.2754    1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669   -0.8585    1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032   -1.5223   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743   -0.8034    0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3185    0.4609   -0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4323    2.2508   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1561    2.3113   -2.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3665    0.3334   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794    1.8898    1.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    1.1434    2.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    0.1696    1.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181    0.6161   -2.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    0.3249   -2.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    1.9997   -2.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -2.0242    1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299   -1.4758    2.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 19  2  0
 17 16  1  0
 16 15  1  0
 15 20  1  0
 20 21  1  0
 21 22  2  0
 21  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 12  5  1  0
 18 36  1  0
 18 37  1  0
 18 38  1  0
 15 35  1  1
 20 39  1  0
 20 40  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  7 29  1  0
  7 30  1  0
  8 31  1  0
 12 32  1  6
 13 33  1  0
 14 34  1  0
M  END


  Mrv1652309052207112D          

 22 23  0  0  1  0            999 V2000
    2.0393    2.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871    1.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9817    0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589    0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3652    0.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963    0.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832    1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3551    2.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    2.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    1.7084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5643    1.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8556    2.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    2.7476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9610    3.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    3.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664    4.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    3.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1925    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9012    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.6993    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  1  0  0  0  0
  4  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
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  1  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0208264

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1CC(=O)C(=C)CCC2=C(CO)C(=O)O[C@H]2\C=C\1

> <INCHI_IDENTIFIER>
InChI=1S/C16H18O6/c1-9-3-5-12-13(8-17)16(20)22-15(12)6-4-11(7-14(9)19)21-10(2)18/h4,6,11,15,17H,1,3,5,7-8H2,2H3/b6-4+/t11-,15-/m0/s1

> <INCHI_KEY>
PUDREQGPLHXLJQ-RBZUQTFTSA-N

> <FORMULA>
C16H18O6

> <MOLECULAR_WEIGHT>
306.314

> <EXACT_MASS>
306.1103383

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
30.455451404590054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(9R,11aS)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-2H,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate

> <JCHEM_LOGP>
1.025268565666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.967477906431263

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.328201947995328

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8601249833566103

> <JCHEM_POLAR_SURFACE_AREA>
89.9

> <JCHEM_REFRACTIVITY>
78.3017

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(9R,11aS)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate

> <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       3.807   3.785   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.896   2.247   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.352   0.806   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.832   0.557   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.857   1.748   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.682   1.820   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.644   0.618   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.166   0.850   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.089   3.305   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.529   3.849   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.198   4.151   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.400   3.189   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.920   3.438   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.464   4.879   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.983   5.129   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.527   6.570   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       7.047   6.819   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.591   8.260   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.023   5.628   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.959   3.937   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.416   2.497   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.391   1.305   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11    5   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   15   21                                                       
CONECT   21   20    2   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₈O₆

Average Mass

306.3140 Da

Monoisotopic Mass

306.11034 Da

IUPAC Name

(9R,11aS)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-2H,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate

Traditional Name

(9R,11aS)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1CC(=O)C(=C)CCC2=C(CO)C(=O)O[C@H]2\C=C\1

InChI Identifier

InChI=1S/C16H18O6/c1-9-3-5-12-13(8-17)16(20)22-15(12)6-4-11(7-14(9)19)21-10(2)18/h4,6,11,15,17H,1,3,5,7-8H2,2H3/b6-4+/t11-,15-/m0/s1

InChI Key

PUDREQGPLHXLJQ-RBZUQTFTSA-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
Achillea fragrantissima	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dihydrofurans

Sub Class

Furanones

Direct Parent

Butenolides

Alternative Parents

Substituents

Dicarboxylic acid or derivatives
2-furanone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Cyclic ketone
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
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	1.03	ChemAxon
pKa (Strongest Acidic)	13.33	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	89.9 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	78.3 m³·mol⁻¹	ChemAxon
Polarizability	30.46 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00012255

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

132580937

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Elmann A, Telerman A, Ofir R, Kashman Y, Lazarov O: beta-amyloid cytotoxicity is prevented by natural achillolide A. J Nat Med. 2018 Jun;72(3):626-631. doi: 10.1007/s11418-018-1191-0. Epub 2018 Mar 15. [PubMed:29546477 ]
Elmann A, Telerman A, Ofir R, Kashman Y: Glutamate Toxicity to Differentiated Neuroblastoma N2a Cells Is Prevented by the Sesquiterpene Lactone Achillolide A and the Flavonoid 3,5,4'-Trihydroxy-6,7,3'-Trimethoxyflavone from Achillea fragrantissima. J Mol Neurosci. 2017 May;62(1):99-105. doi: 10.1007/s12031-017-0916-y. Epub 2017 Apr 11. [PubMed:28401371 ]
Elmann A, Telerman A, Erlank H, Ofir R, Kashman Y, Beit-Yannai E: Achillolide A Protects Astrocytes against Oxidative Stress by Reducing Intracellular Reactive Oxygen Species and Interfering with Cell Signaling. Molecules. 2016 Mar 2;21(3):301. doi: 10.3390/molecules21030301. [PubMed:26950103 ]
Elmann A, Telerman A, Mordechay S, Erlank H, Rindner M, Kashman Y, Ofir R: Downregulation of microglial activation by achillolide A. Planta Med. 2015 Feb;81(3):215-21. doi: 10.1055/s-0034-1396204. Epub 2015 Feb 5. [PubMed:25654405 ]
LOTUS database [Link]

Showing NP-Card for (9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate (NP0208264)

MOL for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

3D MOL for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

3D SDF for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

3D-SDF for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

PDB for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

3D PDB for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

SMILES for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

INCHI for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

Structure for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)

3D Structure for NP0208264 ((9r,11as)-3-(hydroxymethyl)-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate)