NP-MRD: Showing NP-Card for 5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate (NP0202727)

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Record Information

Version

2.0

Created at

2022-09-04 22:00:08 UTC

Updated at

2022-09-04 22:00:08 UTC

NP-MRD ID

NP0202727

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate

Description

5,8,12-Tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]Dodecan-7-yl pyridine-3-carboxylate belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. 5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate is found in Euonymus japonicus. 5,8,12-Tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]Dodecan-7-yl pyridine-3-carboxylate is a strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261513172D          

 41 44  0  0  0  0            999 V2000
    2.9236    2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1332    0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6590    0.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5189   -0.5783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422   -0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4180   -0.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872   -1.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8281    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544   -0.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1390   -0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 10  1  0  0  0  0
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  2 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004261513172D          

 41 44  0  0  0  0            999 V2000
    2.9236    2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5574   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -0.7351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3091   -0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695   -0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8295   -1.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508    0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8101    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0125   -0.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9668   -1.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079    1.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935    0.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 32 37  1  0  0  0  0
  2 37  1  0  0  0  0
 10 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0202727

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC(OC(C)=O)C2(COC(C)=O)C(OC(=O)C3=CC=CN=C3)C(OC(C)=O)C3C(OC(C)=O)C12OC3(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H37NO11/c1-15-10-11-21(37-17(3)32)28(14-36-16(2)31)25(40-26(35)20-9-8-12-30-13-20)23(38-18(4)33)22-24(39-19(5)34)29(15,28)41-27(22,6)7/h8-9,12-13,15,21-25H,10-11,14H2,1-7H3

> <INCHI_KEY>
SQFNSXGWZVTVDY-UHFFFAOYSA-N

> <FORMULA>
C29H37NO11

> <MOLECULAR_WEIGHT>
575.611

> <EXACT_MASS>
575.236661015

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
57.55007057009659

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate

> <ALOGPS_LOGP>
3.07

> <JCHEM_LOGP>
1.4122957026666667

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.2398261757022047

> <JCHEM_POLAR_SURFACE_AREA>
153.62

> <JCHEM_REFRACTIVITY>
137.86520000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.63e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       5.457   4.523   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.523   2.905   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.074   2.762   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.715   1.354   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.830   0.086   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.435  -1.080   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.345  -1.618   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.980  -1.557   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      11.176  -3.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.279   0.223   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.635  -0.865   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.988   0.147   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.593  -0.307   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.333  -2.031   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.941   0.613   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.502  -1.201   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.529  -3.012   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.908  -4.822   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.704  -5.937   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.249  -5.719   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.682  -7.151   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.639  -8.358   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.163  -8.133   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       7.729  -6.701   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       6.772  -5.494   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.907  -1.128   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.126  -1.372   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.577  -1.562   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.996  -0.836   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.548  -2.895   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.148   0.303   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.379   0.935   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.757  -0.598   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.924  -2.247   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.805  -3.450   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.290  -3.708   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.509   1.678   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.188   2.714   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.787   1.878   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.014   3.314   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.174   1.710   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   37                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11   16   37                                             
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   10   17   26                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20                                                       
CONECT   26   16   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32   39                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32    2   10   38                                             
CONECT   38   37   39                                                       
CONECT   39   38   31   40   41                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
5,8,12-Tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0,]dodecan-7-yl pyridine-3-carboxylic acid	Generator
5,8,12-Tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylic acid	Generator

Chemical Formula

C₂₉H₃₇NO₁₁

Average Mass

575.6110 Da

Monoisotopic Mass

575.23666 Da

IUPAC Name

5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate

Traditional Name

5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate

CAS Registry Number

Not Available

SMILES

CC1CCC(OC(C)=O)C2(COC(C)=O)C(OC(=O)C3=CC=CN=C3)C(OC(C)=O)C3C(OC(C)=O)C12OC3(C)C

InChI Identifier

InChI=1S/C29H37NO11/c1-15-10-11-21(37-17(3)32)28(14-36-16(2)31)25(40-26(35)20-9-8-12-30-13-20)23(38-18(4)33)22-24(39-19(5)34)29(15,28)41-27(22,6)7/h8-9,12-13,15,21-25H,10-11,14H2,1-7H3

InChI Key

SQFNSXGWZVTVDY-UHFFFAOYSA-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
Euonymus japonicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Pentacarboxylic acids and derivatives

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Substituents

Pentacarboxylic acid or derivatives
Agarofuran
Sesquiterpenoid
Pyridine carboxylic acid
Pyridine carboxylic acid or derivatives
Oxepane
Pyridine
Heteroaromatic compound
Tetrahydrofuran
Carboxylic acid ester
Oxacycle
Ether
Dialkyl ether
Organoheterocyclic compound
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
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
logP	3.07	ALOGPS
logP	1.41	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Basic)	3.24	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	153.62 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	137.87 m³·mol⁻¹	ChemAxon
Polarizability	57.55 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

14431365

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate (NP0202727)

MOL for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

3D MOL for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

3D SDF for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

3D-SDF for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

PDB for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

3D PDB for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

SMILES for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

INCHI for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

Structure for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)

3D Structure for NP0202727 (5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate)