NP-MRD: Showing NP-Card for 5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione (NP0182661)

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Record Information

Version

2.0

Created at

2022-09-03 21:24:42 UTC

Updated at

2022-09-03 21:24:42 UTC

NP-MRD ID

NP0182661

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione

Description

5,7,11,18,22,24-Hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]Octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. 5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione is found in Dichrometra palmata. Based on a literature review very few articles have been published on 5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]Octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032223242D          

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M  END

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M  END


  Mrv1652309032223242D          

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    4.2081    3.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782    4.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381    4.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284    3.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6385    3.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4420    3.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9086    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7187    4.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583    2.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984    2.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284    1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    1.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    2.7414    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
  4 37  1  0  0  0  0
 37 38  2  0  0  0  0
  8 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 11 40  1  0  0  0  0
 17 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
 24 42  1  0  0  0  0
 18 42  1  0  0  0  0
 41 43  1  0  0  0  0
 27 43  1  0  0  0  0
 36 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0182661

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C5C(O)=CC(O)=C6C(=O)C7=C(O)C=C(C(O)CC)C8=C7C(=C56)C(=C34)C2=C18

> <INCHI_IDENTIFIER>
InChI=1S/C34H24O9/c1-3-5-10-6-13(36)23-27-19(10)20-11(12(35)4-2)7-14(37)24-28(20)32-30-22(16(39)9-18(41)26(30)34(24)43)21-15(38)8-17(40)25(33(23)42)29(21)31(27)32/h6-9,12,35-41H,3-5H2,1-2H3

> <INCHI_KEY>
VENJYACYNGMKFS-UHFFFAOYSA-N

> <FORMULA>
C34H24O9

> <MOLECULAR_WEIGHT>
576.557

> <EXACT_MASS>
576.142032353

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
59.20407868768251

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,11,13,16,18,22-hexahydroxy-5-(1-hydroxypropyl)-24-propyloctacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{4,25}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione

> <JCHEM_LOGP>
8.245758483666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.986128990351156

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.033498083893228

> <JCHEM_PKA_STRONGEST_BASIC>
3.3334891459186977

> <JCHEM_POLAR_SURFACE_AREA>
175.75

> <JCHEM_REFRACTIVITY>
159.23130000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
7,11,13,16,18,22-hexahydroxy-5-(1-hydroxypropyl)-24-propyloctacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{4,25}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      15.920   5.117   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.912   6.281   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.400   5.990   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.896   4.535   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.904   3.371   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.400   1.916   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      14.408   0.752   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      11.888   1.625   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.384   0.170   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.392  -0.994   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.871  -0.121   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.367  -1.577   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      10.376  -2.741   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.855  -1.868   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.847  -0.703   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.335  -0.994   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       7.351   0.752   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.343   1.916   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.831   1.625   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.327   0.170   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.822   2.789   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.327   4.244   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.318   5.408   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.839   4.535   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.343   5.990   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       5.335   7.154   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.855   6.281   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.359   7.737   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.351   8.901   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.871   8.028   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.880   6.863   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.392   7.154   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      13.892   6.805   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      12.896   8.610   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.408   8.901   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.376   5.408   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.384   4.244   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.880   2.789   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.367   2.498   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.863   1.043   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.359   3.662   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.847   3.371   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.863   5.117   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   37                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   38                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   40                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   40                                                  
CONECT   18   17   19   42                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   42                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   43                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34                                                            
CONECT   36   31   37   43                                                  
CONECT   37   36    4   38                                                  
CONECT   38   37    8   39                                                  
CONECT   39   38   40   41                                                  
CONECT   40   39   11   17                                                  
CONECT   41   39   42   43                                                  
CONECT   42   41   24   18                                                  
CONECT   43   41   27   36                                                  
MASTER        0    0    0    0    0    0    0    0   43    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₂₄O₉

Average Mass

576.5570 Da

Monoisotopic Mass

576.14203 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C5C(O)=CC(O)=C6C(=O)C7=C(O)C=C(C(O)CC)C8=C7C(=C56)C(=C34)C2=C18

InChI Identifier

InChI=1S/C34H24O9/c1-3-5-10-6-13(36)23-27-19(10)20-11(12(35)4-2)7-14(37)24-28(20)32-30-22(16(39)9-18(41)26(30)34(24)43)21-15(38)8-17(40)25(33(23)42)29(21)31(27)32/h6-9,12,35-41H,3-5H2,1-2H3

InChI Key

VENJYACYNGMKFS-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
Dichrometra palmata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Benzo-a-pyrene
Benzo-e-pyrene
Phenanthro-perylenequinone
Perylenequinone
Chrysene
Triphenylene
Phenanthrol
Phenanthrene
Anthracene
1-naphthol
2-naphthol
Phenol
1-hydroxy-2-unsubstituted benzenoid
Vinylogous acid
Secondary alcohol
Polyol
Alcohol
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Aromatic alcohol
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	8.25	ChemAxon
pKa (Strongest Acidic)	6.03	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

10470841

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23425547

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione (NP0182661)

MOL for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

3D MOL for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

3D SDF for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

3D-SDF for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

PDB for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

3D PDB for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

SMILES for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

INCHI for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

Structure for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)

3D Structure for NP0182661 (5,7,11,18,22,24-hexahydroxy-13-(1-hydroxypropyl)-16-propyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione)