NP-MRD: Showing NP-Card for 8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate (NP0286127)

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Record Information

Version

2.0

Created at

2022-09-09 14:34:25 UTC

Updated at

2022-09-09 14:34:25 UTC

NP-MRD ID

NP0286127

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate

Description

8,18-Dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]Dotriaconta-1(29),7,9,11(32),15(30),16,18-heptaen-31-yl acetate belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate is found in Talaromyces stipitatus. Based on a literature review very few articles have been published on 8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]Dotriaconta-1(29),7,9,11(32),15(30),16,18-heptaen-31-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092216342D          

 46 54  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309092216342D          

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    0.2184   -3.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0145   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5736   -1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8869    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411    1.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1639    1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5680    1.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    1.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3086    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    0.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4772   -0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363   -0.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905   -1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731   -2.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6731    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204    2.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050    2.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7398    3.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3328    1.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1012    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3795    2.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7486    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6300    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5752    0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8635    0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6340   -0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1981   -1.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8120   -0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229    0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    0.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3141   -0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8206   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0383    0.2391    0.0000 O   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  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
 13 25  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 31 38  1  0  0  0  0
 26 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
 26 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0286127

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC12C3C(OC(C)=O)C4(COC(=O)C5=C(O)C=C(C)C(C3=O)=C45)C1C1=C3C(OC(=O)C4=C3C2=C(C)C=C4O)C2C(C)COC2O1

> <INCHI_IDENTIFIER>
InChI=1S/C34H30O12/c1-10-6-15(37)19-23-16(10)25(38)24-29(44-13(4)35)33(23,9-43-30(19)39)28-27-21-20-18(14(36)7-11(2)22(20)34(24,28)41-5)31(40)45-26(21)17-12(3)8-42-32(17)46-27/h6-7,12,17,24,26,28-29,32,36-37H,8-9H2,1-5H3

> <INCHI_KEY>
SVOQJMLNJOHGBN-UHFFFAOYSA-N

> <FORMULA>
C34H30O12

> <MOLECULAR_WEIGHT>
630.602

> <EXACT_MASS>
630.173726406

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
62.31257879086707

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1^{3,7}.1^{3,13}.0^{2,14}.0^{19,30}.0^{22,29}.0^{23,27}.0^{11,32}]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate

> <JCHEM_LOGP>
3.642018858666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.59663671360226

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.015563997713297

> <JCHEM_PKA_STRONGEST_BASIC>
-3.908076720294336

> <JCHEM_POLAR_SURFACE_AREA>
164.12

> <JCHEM_REFRACTIVITY>
157.6314

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1^{3,7}.1^{3,13}.0^{2,14}.0^{19,30}.0^{22,29}.0^{23,27}.0^{11,32}]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.052  -3.545   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.639  -2.700   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -3.617  -1.306   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.573  -2.438   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.032  -3.908   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.707  -5.427   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.988  -5.041   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.486  -4.703   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.408  -6.038   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.027  -3.233   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.071  -2.101   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.612  -0.631   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.656   0.502   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.197   1.972   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.306   2.309   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.060   3.652   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.570   3.349   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.749   1.820   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.309   1.460   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.350   1.177   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.891  -0.293   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.934  -1.425   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.476  -2.896   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.750  -3.867   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -3.123   0.276   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.397   1.305   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.292   2.475   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.585   3.983   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.049   4.475   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -5.114   6.082   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -6.221   3.426   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.656   4.018   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -8.175   5.542   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -8.864   3.058   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -8.643   1.513   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.407   0.869   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -7.212   0.872   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.961   1.882   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.783  -0.748   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -7.837  -2.072   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -5.249  -1.285   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -4.896   0.026   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -6.431   0.389   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -8.053  -0.327   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -8.999  -1.637   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -9.405   0.446   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   25   41                                             
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   23                                                  
CONECT   11   10    4   12                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14   25                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   15   21                                                  
CONECT   21   20   12   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   10   24                                                  
CONECT   24   23                                                            
CONECT   25   13    3   26                                                  
CONECT   26   25   27   38   42                                             
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   38                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37   31   26                                                  
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39    3   42                                                  
CONECT   42   41   26   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  108    0
END

View in JSmol

Synonyms

Value	Source
8,18-Dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1,.1,.0,.0,.0,.0,.0,]dotriaconta-1(29),7,9,11(32),15(30),16,18-heptaen-31-yl acetic acid	Generator

Chemical Formula

C₃₄H₃₀O₁₂

Average Mass

630.6020 Da

Monoisotopic Mass

630.17373 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC12C3C(OC(C)=O)C4(COC(=O)C5=C(O)C=C(C)C(C3=O)=C45)C1C1=C3C(OC(=O)C4=C3C2=C(C)C=C4O)C2C(C)COC2O1

InChI Identifier

InChI=1S/C34H30O12/c1-10-6-15(37)19-23-16(10)25(38)24-29(44-13(4)35)33(23,9-43-30(19)39)28-27-21-20-18(14(36)7-11(2)22(20)34(24,28)41-5)31(40)45-26(21)17-12(3)8-42-32(17)46-27/h6-7,12,17,24,26,28-29,32,36-37H,8-9H2,1-5H3

InChI Key

SVOQJMLNJOHGBN-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
Talaromyces stipitatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
2-naphthol
2-benzopyran
Tetralin
Naphthalene
Isochromane
Benzopyran
Tricarboxylic acid or derivatives
Furopyran
Aryl alkyl ketone
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Pyran
Vinylogous acid
Tetrahydrofuran
Furan
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Ether
Dialkyl ether
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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

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

162970928

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate (NP0286127)

MOL for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

3D MOL for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

3D SDF for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

3D-SDF for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

PDB for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

3D PDB for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

SMILES for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

INCHI for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

Structure for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)

3D Structure for NP0286127 (8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.1³,⁷.1³,¹³.0²,¹⁴.0¹⁹,³⁰.0²²,²⁹.0²³,²⁷.0¹¹,³²]dotriaconta-1(29),7,9,11(32),15,17,19(30)-heptaen-31-yl acetate)