NP-MRD: Showing NP-Card for 3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one (NP0208418)

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Record Information

Version

2.0

Created at

2022-09-05 05:25:10 UTC

Updated at

2022-09-05 05:25:10 UTC

NP-MRD ID

NP0208418

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one

Description

3,9,22,23-Tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]Hexacos-14-en-4-one belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one is found in Anodendron affine. 3,9,22,23-Tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]Hexacos-14-en-4-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251510132D          

 40 47  0  0  0  0            999 V2000
    6.6101    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7298   -0.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2679    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    0.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872    0.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2569    0.4657    0.0000 C   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


  Mrv1533004251510132D          

 40 47  0  0  0  0            999 V2000
    6.6101    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4394    2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    1.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024    2.6223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594    2.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2213    2.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020    3.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233    2.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    2.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0253    2.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    2.6085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    2.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2081    2.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570   -1.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2585   -1.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776   -0.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182    0.0909    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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
 11 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
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
  9 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
  2 34  1  0  0  0  0
 20 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0208418

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(O)C2(O)OC3CC4(C)C5C(O)C(=O)C6(C)C(CCC6(O)C55OC5CC4=CC3OC2O1)C1=CC(=O)OC1

> <INCHI_IDENTIFIER>
InChI=1S/C29H36O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7-8,12,15-19,21-22,24,30,32,34-35H,4-6,9-11H2,1-3H3

> <INCHI_KEY>
NEEFDEJRUTXGFC-UHFFFAOYSA-N

> <FORMULA>
C29H36O11

> <MOLECULAR_WEIGHT>
560.596

> <EXACT_MASS>
560.225761979

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
56.17865340259091

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
0.267782596666664

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.460728209753613

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.087534510161928

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6464384686724873

> <JCHEM_POLAR_SURFACE_AREA>
164.51

> <JCHEM_REFRACTIVITY>
134.73989999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      12.339   3.838   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.881   3.341   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.584   1.830   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.127   1.332   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.829  -0.179   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       7.967   2.345   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.669   0.834   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       6.509   1.847   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.350   2.860   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.892   2.363   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.733   3.376   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.435   1.865   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.275   2.878   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.978   1.367   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.137   0.354   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.480   0.869   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.777  -0.642   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.639   1.883   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.093   0.411   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.168   1.699   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.816   3.096   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.687   4.143   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.342   3.394   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.685   4.895   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.116   3.891   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.044   4.904   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.413   5.402   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.870   5.900   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.030   4.887   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.488   5.385   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.647   4.371   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       7.105   4.869   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.264   3.856   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       9.722   4.354   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -3.918   0.354   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.271  -1.044   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.400  -2.091   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.216  -3.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -5.745  -1.341   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -5.447   0.170   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8   33                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   31                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13   29                                             
CONECT   12   11                                                            
CONECT   13   11   14   25                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20   23                                             
CONECT   19   18                                                            
CONECT   20   18   21   35                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   13   26   27                                             
CONECT   26   25   27                                                       
CONECT   27   26   25   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   11   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30    9   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32    6   34                                                  
CONECT   34   33    2                                                       
CONECT   35   20   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   35                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₆O₁₁

Average Mass

560.5960 Da

Monoisotopic Mass

560.22576 Da

IUPAC Name

3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one

Traditional Name

3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one

CAS Registry Number

Not Available

SMILES

CC1CC(O)C2(O)OC3CC4(C)C5C(O)C(=O)C6(C)C(CCC6(O)C55OC5CC4=CC3OC2O1)C1=CC(=O)OC1

InChI Identifier

InChI=1S/C29H36O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7-8,12,15-19,21-22,24,30,32,34-35H,4-6,9-11H2,1-3H3

InChI Key

NEEFDEJRUTXGFC-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
Anodendron affine	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxepanes

Sub Class

Not Available

Direct Parent

Oxepanes

Alternative Parents

Substituents

Oxepane
Para-dioxane
2-furanone
Oxane
Cyclic alcohol
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Carboxylic acid ester
Hemiacetal
Ketone
Lactone
Secondary alcohol
Acetal
Ether
Oxirane
Oxacycle
Dialkyl ether
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Polyol
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organooxygen compound
Organic oxide
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	0.06	ALOGPS
logP	0.27	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	7.09	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	164.51 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	134.74 m³·mol⁻¹	ChemAxon
Polarizability	56.18 Å³	ChemAxon
Number of Rings	8	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

73816030

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one (NP0208418)

MOL for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

3D MOL for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

3D SDF for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

3D-SDF for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

PDB for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

3D PDB for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

SMILES for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

INCHI for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

Structure for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)

3D Structure for NP0208418 (3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one)