NP-MRD: Showing NP-Card for (3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate (NP0219464)

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Record Information

Version

2.0

Created at

2022-09-05 20:27:47 UTC

Updated at

2022-09-05 20:27:47 UTC

NP-MRD ID

NP0219464

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate

Description

Hiyodorilactone F 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. (3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate is found in Disynaphia multicrenulata, Isocarpha oppositifolia and Stevia origanoides. Based on a literature review very few articles have been published on Hiyodorilactone F.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052222272D          

 33 34  0  0  1  0            999 V2000
    0.2172   -2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249   -1.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908   -0.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -0.9274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7639   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -0.2781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8239    0.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9725   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344    0.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8121   -0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772   -2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273   -2.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -2.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2541   -3.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -3.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -4.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027   -3.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132   -3.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -4.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316   -4.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513   -4.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802   -5.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999   -5.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -6.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659   -1.7524    0.0000 C   0  0  1  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
  6  5  1  6  0  0  0
  6  7  1  0  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  1  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
 15 16  1  0  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  1  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  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 20 33  1  0  0  0  0
 33  2  1  1  0  0  0
  6 33  1  0  0  0  0
M  END


  Mrv1652309052222272D          

 33 34  0  0  1  0            999 V2000
    0.2172   -2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249   -1.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908   -0.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -0.9274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7639   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -0.2781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8239    0.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9725   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344    0.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8121   -0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772   -2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273   -2.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -2.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2541   -3.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -3.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -4.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027   -3.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132   -3.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -4.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316   -4.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513   -4.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802   -5.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999   -5.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -6.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659   -1.7524    0.0000 C   0  0  1  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
  6  5  1  6  0  0  0
  6  7  1  0  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  1  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
 15 16  1  0  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  1  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  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 20 33  1  0  0  0  0
 33  2  1  1  0  0  0
  6 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0219464

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC\C(=C/CO)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O9/c1-13-6-7-19(31-17(5)27)14(2)11-21-22(15(3)23(28)32-21)20(10-13)33-24(29)18(8-9-25)12-30-16(4)26/h6,8,11,19-22,25H,3,7,9-10,12H2,1-2,4-5H3/b13-6+,14-11-,18-8+/t19-,20+,21+,22+/m0/s1

> <INCHI_KEY>
ZMTCJFSEHCLXKW-NYGJKRGRSA-N

> <FORMULA>
C24H30O9

> <MOLECULAR_WEIGHT>
462.495

> <EXACT_MASS>
462.188982546

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
46.502909579738485

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate

> <JCHEM_LOGP>
1.7738395216666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.55051930546718

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5580028557885948

> <JCHEM_POLAR_SURFACE_AREA>
125.43

> <JCHEM_REFRACTIVITY>
118.71479999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate

> <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       0.405  -5.194   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.894  -3.734   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -2.480   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.540  -2.467   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       0.916  -1.242   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.377  -1.731   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.293  -0.493   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.761  -0.030   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.775   1.510   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.222  -0.519   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.138   0.719   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.668   0.544   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.282  -0.868   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.584   1.782   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       7.116  -1.773   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.200  -3.011   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.186  -4.551   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.424  -5.467   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.718  -5.014   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.257  -4.525   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.341  -5.763   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.955  -7.175   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.039  -8.413   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.485  -7.350   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.401  -6.112   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.931  -6.286   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.545  -7.698   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.099  -8.762   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.629  -8.936   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.243 -10.349   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.773 -10.523   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.327 -11.586   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.363  -3.271   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   33                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   33                                                  
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   33                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   28                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   24   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   20    2    6                                                  
MASTER        0    0    0    0    0    0    0    0   33    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₀O₉

Average Mass

462.4950 Da

Monoisotopic Mass

462.18898 Da

IUPAC Name

(3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate

Traditional Name

(3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate

CAS Registry Number

Not Available

SMILES

CC(=O)OC\C(=C/CO)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12

InChI Identifier

InChI=1S/C24H30O9/c1-13-6-7-19(31-17(5)27)14(2)11-21-22(15(3)23(28)32-21)20(10-13)33-24(29)18(8-9-25)12-30-16(4)26/h6,8,11,19-22,25H,3,7,9-10,12H2,1-2,4-5H3/b13-6+,14-11-,18-8+/t19-,20+,21+,22+/m0/s1

InChI Key

ZMTCJFSEHCLXKW-NYGJKRGRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Disynaphia multicrenulata	LOTUS Database	35616633
Isocarpha oppositifolia	LOTUS Database	35616633
Stevia origanoides	LOTUS Database	35616633

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
Tetrahydrofuran
Enoate ester
Lactone
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
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	1.77	ChemAxon
pKa (Strongest Acidic)	15.55	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	125.43 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	118.71 m³·mol⁻¹	ChemAxon
Polarizability	46.5 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

C00030487

Chemspider ID

20144412

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15572109

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate (NP0219464)

MOL for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

3D MOL for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

3D SDF for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

3D-SDF for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

PDB for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

3D PDB for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

SMILES for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

INCHI for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

Structure for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)

3D Structure for NP0219464 ((3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate)