NP-MRD: Showing NP-Card for (1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate (NP0330385)

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Record Information

Version

2.0

Created at

2022-09-12 15:40:40 UTC

Updated at

2022-09-12 15:40:40 UTC

NP-MRD ID

NP0330385

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate

Description

(1R,8S,10S,11R)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-11-yl 3-methylbutanoate belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Based on a literature review very few articles have been published on (1R,8S,10S,11R)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-11-yl 3-methylbutanoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122217412D          

 34 36  0  0  1  0            999 V2000
   -3.8485    3.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235    3.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    3.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    2.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    2.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    1.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521    0.1005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2237   -0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    2.0736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6451    2.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    2.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    1.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0740    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    2.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    1.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3175    2.6257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1460    3.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320    3.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971    2.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    2.2994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8305    2.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    3.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2721    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256    3.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959    0.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7090    0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    0.7068    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 10 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  6  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END


  Mrv1652309122217412D          

 34 36  0  0  1  0            999 V2000
   -3.8485    3.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235    3.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    3.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    2.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    2.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    1.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521    0.1005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2237   -0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    2.0736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6451    2.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    2.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    1.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0740    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    2.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    1.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3175    2.6257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1460    3.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320    3.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971    2.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    2.2994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8305    2.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    3.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2721    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256    3.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959    0.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7090    0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    0.7068    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 10 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  6  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0330385

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(=O)O[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(C)=O)=C1[C@H](C[C@]2(C)O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H32O10/c1-13(2)9-19(27)33-24-8-7-22(5,34-24)10-17-20(16(21(28)32-17)12-30-14(3)25)18(31-15(4)26)11-23(24,6)29/h10,13,18,29H,7-9,11-12H2,1-6H3/b17-10+/t18-,22+,23-,24-/m0/s1

> <INCHI_KEY>
COGUWKMLQVJUCV-OCORTATKSA-N

> <FORMULA>
C24H32O10

> <MOLECULAR_WEIGHT>
480.51

> <EXACT_MASS>
480.19954723

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
48.52196644517788

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,8S,10S,11R)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-11-yl 3-methylbutanoate

> <JCHEM_LOGP>
1.3246473986666685

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.024799003101883

> <JCHEM_PKA_STRONGEST_BASIC>
-3.662752916043236

> <JCHEM_POLAR_SURFACE_AREA>
134.66000000000003

> <JCHEM_REFRACTIVITY>
117.8936

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,8S,10S,11R)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-11-yl 3-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.184   5.714   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.644   5.714   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.874   7.047   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -4.874   4.380   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -3.334   4.380   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.564   3.046   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.032   2.885   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.712   1.379   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.432   0.349   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.964   0.188   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.284  -1.319   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.298   0.958   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.924   2.364   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.604   3.871   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.938   4.641   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.271   3.871   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       6.271   2.331   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.605   4.641   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.939   3.871   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.272   4.641   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.939   2.331   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.324   2.234   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.459   4.901   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.139   6.408   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.793   5.671   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.928   5.062   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.406   4.292   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.550   5.323   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.230   6.829   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.375   7.860   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.235   7.305   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.046   0.609   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -3.190   1.639   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -4.697   1.319   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   33                                                  
CONECT    7    6    8   27                                                  
CONECT    8    7    9   32                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12   22                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22   23                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   14   10                                                       
CONECT   23   14   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   27                                                       
CONECT   27   26    7   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32    8   33                                                       
CONECT   33   32    6   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Value	Source
(1R,8S,10S,11R)-8-(Acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0,]tetradeca-2,6-dien-11-yl 3-methylbutanoic acid	Generator

Chemical Formula

C₂₄H₃₂O₁₀

Average Mass

480.5100 Da

Monoisotopic Mass

480.19955 Da

IUPAC Name

(1R,8S,10S,11R)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-11-yl 3-methylbutanoate

Traditional Name

(1R,8S,10S,11R)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-11-yl 3-methylbutanoate

CAS Registry Number

Not Available

SMILES

CC(C)CC(=O)O[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(C)=O)=C1[C@H](C[C@]2(C)O)OC(C)=O

InChI Identifier

InChI=1S/C24H32O10/c1-13(2)9-19(27)33-24-8-7-22(5,34-24)10-17-20(16(21(28)32-17)12-30-14(3)25)18(31-15(4)26)11-23(24,6)29/h10,13,18,29H,7-9,11-12H2,1-6H3/b17-10+/t18-,22+,23-,24-/m0/s1

InChI Key

COGUWKMLQVJUCV-OCORTATKSA-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 tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Ketal
Fatty acid ester
2-furanone
Fatty acyl
Dihydrofuran
Enol ester
Tertiary alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Lactone
Oxacycle
Acetal
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
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
logP	1.32	ChemAxon
pKa (Strongest Acidic)	13.02	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	134.66 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	117.89 m³·mol⁻¹	ChemAxon
Polarizability	48.52 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

162852369

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate (NP0330385)

MOL for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

3D MOL for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

3D SDF for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

3D-SDF for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

PDB for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

3D PDB for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

SMILES for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

INCHI for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

Structure for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)

3D Structure for NP0330385 ((1r,2e,8s,10s,11r)-8-(acetyloxy)-6-[(acetyloxy)methyl]-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-11-yl 3-methylbutanoate)