NP-MRD: Showing NP-Card for 19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone (NP0198111)

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Record Information

Version

2.0

Created at

2022-09-04 16:29:56 UTC

Updated at

2022-09-04 16:29:57 UTC

NP-MRD ID

NP0198111

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone

Description

19,32-Dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]Tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. 19,32-Dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]Tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161506142D          

 44 49  0  0  0  0            999 V2000
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    0.4883   -1.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004161506142D          

 44 49  0  0  0  0            999 V2000
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    2.3908   -0.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -1.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911   -0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741    1.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    1.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2051    1.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3752    2.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1593    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    3.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7734    2.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033    1.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2174    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473   -0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2631   -0.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0931   -1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -1.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948   -0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649   -0.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6491    0.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187   -0.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368   -0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368   -1.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -0.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8502   -1.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3746    0.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0377    0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4489    1.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8133    1.2610    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  4  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 28  1  4  0  0  0
 29 30  2  0  0  0  0
 30 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
 33 35  1  0  0  0  0
 20 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
  3 37  1  0  0  0  0
 37 38  2  0  0  0  0
 28 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 27 42  1  0  0  0  0
 42 43  2  0  0  0  0
 18 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0198111

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC2C=CC3CC4OC2(C3C(O)C4C)C(C)=CC2COC(=O)CCC3=C(C=COCC(O)C2OC1=O)C(=O)OC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3

> <INCHI_KEY>
UGSGHHXIPUAOBJ-UHFFFAOYSA-N

> <FORMULA>
C32H38O12

> <MOLECULAR_WEIGHT>
614.644

> <EXACT_MASS>
614.236326664

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
61.25773482569612

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone

> <ALOGPS_LOGP>
0.91

> <JCHEM_LOGP>
0.9709786380000005

> <ALOGPS_LOGS>
-3.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.530965047641924

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.329555384278432

> <JCHEM_PKA_STRONGEST_BASIC>
-3.017219126430499

> <JCHEM_POLAR_SURFACE_AREA>
164.12

> <JCHEM_REFRACTIVITY>
153.37290000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.09e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      -0.624  -3.600   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.911  -3.482   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.578  -2.094   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.776  -0.564   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.618   1.187   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.016  -0.102   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.670  -0.888   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.846   0.497   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.755   0.807   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.875   1.800   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.267   2.783   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.225   1.493   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.999  -0.460   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.463  -1.403   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.680  -2.927   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.583  -0.115   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.938  -0.846   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.751   2.005   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.992   3.187   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.386   2.360   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.849   2.838   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.167   4.345   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.631   4.824   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.948   6.331   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.777   3.795   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.460   2.288   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.606   1.260   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.288  -0.247   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.825  -0.726   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.507  -2.232   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.043  -2.711   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.897  -1.683   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.214  -0.176   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.678   0.303   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.068   0.853   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       4.515  -0.407   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       3.242  -1.768   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.989  -3.115   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      12.623  -1.015   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      12.787  -2.546   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      13.766   0.018   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      13.137   1.424   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.905   2.759   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.251   2.354   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11    5   13   18                                             
CONECT   13   12    8   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   10   17                                                  
CONECT   17   16                                                            
CONECT   18   12   19   44                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   35                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   42                                                  
CONECT   28   27   29   39                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   20   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36    3   38                                                  
CONECT   38   37                                                            
CONECT   39   28   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   27   43                                                  
CONECT   43   42                                                            
CONECT   44   18                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₈O₁₂

Average Mass

614.6440 Da

Monoisotopic Mass

614.23633 Da

IUPAC Name

19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone

Traditional Name

19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone

CAS Registry Number

Not Available

SMILES

COC1CC2C=CC3CC4OC2(C3C(O)C4C)C(C)=CC2COC(=O)CCC3=C(C=COCC(O)C2OC1=O)C(=O)OC3=O

InChI Identifier

InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3

InChI Key

UGSGHHXIPUAOBJ-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

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
2-furanone
Oxane
Carboxylic acid anhydride
Cyclic alcohol
Dihydrofuran
Carboxylic acid ester
Lactone
Secondary alcohol
Ether
Oxacycle
Dialkyl ether
Organoheterocyclic compound
Hydrocarbon derivative
Alcohol
Organic oxide
Carbonyl group
Organooxygen compound
Organic oxygen 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	0.91	ALOGPS
logP	0.97	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	13.33	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	164.12 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	153.37 m³·mol⁻¹	ChemAxon
Polarizability	61.26 Å³	ChemAxon
Number of Rings	6	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

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

74030047

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone (NP0198111)

MOL for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

3D MOL for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

3D SDF for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

3D-SDF for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

PDB for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

3D PDB for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

SMILES for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

INCHI for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

Structure for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)

3D Structure for NP0198111 (19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone)