NP-MRD: Showing NP-Card for (1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate (NP0241634)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 01:46:00 UTC

Updated at

2022-09-07 01:46:00 UTC

NP-MRD ID

NP0241634

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

Description

(1S,2R,5S,6S,7S,8R,9S)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]Dodecan-7-yl benzoate belongs to the class of organic compounds known as agarofurans. These are organic compounds containing an agarofuran moiety( a three-ring system, with core fragment oxatricyclo[7.2.1.0^{1,6}]Dodec-2-ene). (1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate is found in Celastrus angulatus. Based on a literature review very few articles have been published on (1S,2R,5S,6S,7S,8R,9S)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]Dodecan-7-yl benzoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309072203462D          

 37 40  0  0  1  0            999 V2000
    2.8426    3.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    3.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374    3.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9154    2.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    2.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    1.5419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8298    1.5673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2144    2.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0388    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233    3.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    1.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0812    0.0746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7317   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808    0.7540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0175    1.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    1.4426    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3272    2.2252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7965    2.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6188    2.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    3.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5304    2.2931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9058    3.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4572    3.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    3.6778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325    4.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839    5.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592    5.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5832    5.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    5.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564    4.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607    0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494    0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839   -0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007    0.1726    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 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
 14 16  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  1  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 16 37  1  0  0  0  0
M  END


  Mrv1652309072203462D          

 37 40  0  0  1  0            999 V2000
    2.8426    3.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    3.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374    3.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9154    2.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    2.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    1.5419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8298    1.5673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2144    2.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0388    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233    3.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    1.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0812    0.0746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7317   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808    0.7540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0175    1.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    1.4426    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3272    2.2252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7965    2.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6188    2.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    3.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5304    2.2931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9058    3.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4572    3.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    3.6778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325    4.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839    5.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592    5.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5832    5.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    5.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564    4.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607    0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494    0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839   -0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007    0.1726    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 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
 14 16  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  1  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241634

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)[C@@H]3C[C@]12OC3(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)24(36-25(32)20-10-8-7-9-11-20)23(35-19(4)31)21-14-28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23-,24-,27+,28+/m1/s1

> <INCHI_KEY>
IQDZWOJJMIPGTJ-LBGIHMOESA-N

> <FORMULA>
C28H36O9

> <MOLECULAR_WEIGHT>
516.587

> <EXACT_MASS>
516.235932739

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
53.36210876979325

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,6S,7S,8R,9S)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate

> <JCHEM_LOGP>
3.002667175333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.213435848823974

> <JCHEM_POLAR_SURFACE_AREA>
114.43000000000002

> <JCHEM_REFRACTIVITY>
129.8699

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,6S,7S,8R,9S)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       5.306   6.937   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.855   6.422   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.683   7.421   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.575   4.908   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.124   4.393   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.844   2.878   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.416   2.926   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.134   4.288   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.672   4.348   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.390   5.710   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.493   3.045   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.254   1.619   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.558   0.233   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.018   0.139   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.366  -1.256   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.084   1.407   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.033   2.135   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.298   2.693   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.611   4.154   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.487   5.420   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -3.022   5.295   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.681   3.903   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.898   6.562   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.990   4.280   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.691   5.652   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.853   6.944   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.685   6.865   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.554   8.316   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.717   9.608   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.417  10.980   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.955  11.058   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.793   9.766   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.092   8.395   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.607   1.111   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.079   1.563   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.210  -0.306   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.188   0.322   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   16   24                                             
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    7   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    6   17   37                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   34                                                  
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19    6   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   28                                                       
CONECT   34   18   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34   16                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,5S,6S,7S,8R,9S)-5,8-Bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0,]dodecan-7-yl benzoic acid	Generator

Chemical Formula

C₂₈H₃₆O₉

Average Mass

516.5870 Da

Monoisotopic Mass

516.23593 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)[C@@H]3C[C@]12OC3(C)C

InChI Identifier

InChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)24(36-25(32)20-10-8-7-9-11-20)23(35-19(4)31)21-14-28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23-,24-,27+,28+/m1/s1

InChI Key

IQDZWOJJMIPGTJ-LBGIHMOESA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Celastrus angulatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as agarofurans. These are organic compounds containing an agarofuran moiety( a three-ring system, with core fragment oxatricyclo[7.2.1.0^{1,6}]Dodec-2-ene).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Agarofurans

Alternative Parents

Substituents

Agarofuran
Tetracarboxylic acid or derivatives
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Oxepane
Monocyclic benzene moiety
Benzenoid
Tetrahydrofuran
Carboxylic acid ester
Organoheterocyclic compound
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

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

162854402

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate (NP0241634)

MOL for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

3D MOL for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

3D SDF for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

3D-SDF for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

PDB for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

3D PDB for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

SMILES for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

INCHI for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

Structure for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)

3D Structure for NP0241634 ((1s,2r,5s,6s,7s,8r,9s)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate)