NP-MRD: Showing NP-Card for (1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate (NP0223664)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-06 01:49:27 UTC

Updated at

2022-09-06 01:49:27 UTC

NP-MRD ID

NP0223664

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate

Description

(1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate is found in Taxus cuspidata.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062203492D          

 39 40  0  0  1  0            999 V2000
    6.1691    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688    2.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4964    2.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7409    1.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026    0.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    1.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661   -0.0243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7940    0.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0127   -1.6172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7130   -2.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411   -2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4685   -0.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4101   -2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985   -2.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623   -3.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066   -2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173   -2.1273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3811   -2.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -1.5248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4292   -1.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0409   -0.7693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2163   -0.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -1.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685   -2.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444   -1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4771   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887    0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097    0.6316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4773    1.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4372    2.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942    2.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050   -1.2360    0.0000 C   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  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 31 37  1  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END


  Mrv1652309062203492D          

 39 40  0  0  1  0            999 V2000
    6.1691    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688    2.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4964    2.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7409    1.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026    0.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    1.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661   -0.0243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7940    0.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0127   -1.6172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7130   -2.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411   -2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4685   -0.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4101   -2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985   -2.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623   -3.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066   -2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173   -2.1273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3811   -2.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -1.5248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4292   -1.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0409   -0.7693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2163   -0.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -1.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685   -2.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444   -1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4771   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887    0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097    0.6316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4773    1.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4372    2.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942    2.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050   -1.2360    0.0000 C   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  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 31 37  1  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223664

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1C[C@H]2[C@H](O)\C=C(CO)/[C@H](C[C@H](O)\C(C)=C(OC(C)=O)/[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H40O11/c1-13-21(34)11-24(37-16(4)31)19(12-29)9-22(35)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21-,22+,23-,24-,27+/m0/s1

> <INCHI_KEY>
NWGSLLPHAJKKFO-ZGIKNOBRSA-N

> <FORMULA>
C28H40O11

> <MOLECULAR_WEIGHT>
552.617

> <EXACT_MASS>
552.257062108

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
57.08345595955456

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3E,5S,7S,8E,10R,13S)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate

> <JCHEM_LOGP>
-0.6329715079999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.639614523425141

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.101412352441532

> <JCHEM_PKA_STRONGEST_BASIC>
-2.766375012690011

> <JCHEM_POLAR_SURFACE_AREA>
165.89000000000001

> <JCHEM_REFRACTIVITY>
139.63680000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3E,5S,7S,8E,10R,13S)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

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      11.516   2.977   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.208   3.792   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      10.260   5.331   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       8.850   3.067   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.798   1.528   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.271   1.079   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.086   2.387   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.323  -0.045   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.682   0.680   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      11.672  -1.545   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.224  -3.019   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.531  -3.833   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.890  -3.108   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.197  -3.922   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      13.941  -1.569   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.099  -4.071   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.824  -5.429   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.010  -6.737   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.599  -4.419   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.126  -3.971   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.311  -5.278   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.074  -2.846   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.535  -2.795   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.810  -1.436   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.271  -1.384   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.456  -2.692   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.181  -4.050   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.083  -2.640   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.624  -0.129   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.899   1.230   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.163  -0.180   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.298   1.179   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.491   2.491   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.223   3.845   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.416   5.157   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       8.763   3.889   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.888  -1.539   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.271  -0.862   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.223  -2.307   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   32                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   37                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   37                                                  
CONECT   32   31    5   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   31   22   38   39                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₀O₁₁

Average Mass

552.6170 Da

Monoisotopic Mass

552.25706 Da

IUPAC Name

(1R,2R,3E,5S,7S,8E,10R,13S)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate

Traditional Name

(1R,2R,3E,5S,7S,8E,10R,13S)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1C[C@H]2[C@H](O)\C=C(CO)/[C@H](C[C@H](O)\C(C)=C(OC(C)=O)/[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O

InChI Identifier

InChI=1S/C28H40O11/c1-13-21(34)11-24(37-16(4)31)19(12-29)9-22(35)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21-,22+,23-,24-,27+/m0/s1

InChI Key

NWGSLLPHAJKKFO-ZGIKNOBRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Taxus cuspidata	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	-0.63	ChemAxon
pKa (Strongest Acidic)	14.1	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	165.89 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	139.64 m³·mol⁻¹	ChemAxon
Polarizability	57.08 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate (NP0223664)

MOL for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

3D MOL for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

3D SDF for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

3D-SDF for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

PDB for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

3D PDB for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

SMILES for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

INCHI for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

Structure for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)

3D Structure for NP0223664 ((1r,2r,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate)