NP-MRD: Showing NP-Card for (20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol (NP0299853)

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Record Information

Version

2.0

Created at

2022-09-10 11:55:41 UTC

Updated at

2022-09-10 11:55:41 UTC

NP-MRD ID

NP0299853

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol

Description

(20Z)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]Octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,16,24-triol belongs to the class of organic compounds known as halophenols. These are aromatic compounds containing benzene substituted by a hydroxyl group and a halogen atom. Based on a literature review very few articles have been published on (20Z)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]Octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,16,24-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282221582D          

 36 40  0  0  0  0            999 V2000
    2.5323   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899    0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0460   -0.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4815   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5328    0.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    1.3610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2775    0.4137    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


  Mrv1652304282221582D          

 36 40  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0299853

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2CCC3=C(C=C(Cl)C(O)=C3Cl)C3=CC=C(\C=C/C4=CC(=C(O)C=C4)C1=C2)C(Cl)=C3O

> <INCHI_IDENTIFIER>
InChI=1S/C29H21Cl3O4/c1-36-25-11-5-16-3-8-18-20(14-23(30)29(35)27(18)32)19-9-7-17(26(31)28(19)34)6-2-15-4-10-24(33)21(12-15)22(25)13-16/h2,4-7,9-14,33-35H,3,8H2,1H3/b6-2-

> <INCHI_KEY>
YHYFZZPAXLZZLU-KXFIGUGUSA-N

> <FORMULA>
C29H21Cl3O4

> <MOLECULAR_WEIGHT>
539.83

> <EXACT_MASS>
538.0505423

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
53.57117394549463

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(20E)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1^{10,14}.1^{15,19}.0^{2,7}]octacosa-1(25),2(7),3,5,10,12,14(28),15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol

> <ALOGPS_LOGP>
7.50

> <JCHEM_LOGP>
8.914421249666667

> <ALOGPS_LOGS>
-6.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.25222575697972

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.287255360803662

> <JCHEM_PKA_STRONGEST_BASIC>
-4.842249040958694

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
146.88569999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.35e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(20E)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1^{10,14}.1^{15,19}.0^{2,7}]octacosa-1(25),2(7),3,5,10,12,14(28),15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       4.727  -0.760   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.954   0.272   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.603   0.446   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.553  -1.116   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.783  -2.024   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.232  -1.474   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.328   0.110   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.065   1.013   0.000  0.00  0.00           C+0
HETATM    9 Cl   UNK     0       9.257   2.541   0.000  0.00  0.00          Cl+0
HETATM   10  O   UNK     0      11.718   0.772   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.929  -2.958   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.107  -4.488   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.521  -5.099   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.757  -4.180   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.579  -2.651   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.165  -2.040   0.000  0.00  0.00           C+0
HETATM   17 Cl   UNK     0      14.815  -1.732   0.000  0.00  0.00          Cl+0
HETATM   18  O   UNK     0      15.170  -4.791   0.000  0.00  0.00           O+0
HETATM   19 Cl   UNK     0      12.698  -6.629   0.000  0.00  0.00          Cl+0
HETATM   20  C   UNK     0      10.462  -6.011   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.194  -7.010   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.577  -7.344   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.947  -8.785   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.411  -8.991   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.479  -7.750   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.006  -6.262   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  -4.961   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.418  -4.912   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.620  -3.579   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.383  -2.235   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.950  -2.172   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.696  -3.556   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       1.638  -6.239   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.579  -6.126   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.957  -7.983   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.397  -9.418   0.000  0.00  0.00           C+0
CONECT    1    2   31                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7                                                            
CONECT   11    6   12   16                                                  
CONECT   12   11   13   20                                                  
CONECT   13   12   14   19                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15   11                                                       
CONECT   17   15                                                            
CONECT   18   14                                                            
CONECT   19   13                                                            
CONECT   20   12   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   34                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   35                                                  
CONECT   26   25   27   34                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30    1   32                                                  
CONECT   32   31   27                                                       
CONECT   33   28                                                            
CONECT   34   26   22                                                       
CONECT   35   25   36                                                       
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₂₁Cl₃O₄

Average Mass

539.8300 Da

Monoisotopic Mass

538.05054 Da

IUPAC Name

(20E)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1^{10,14}.1^{15,19}.0^{2,7}]octacosa-1(25),2(7),3,5,10,12,14(28),15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol

Traditional Name

(20E)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1^{10,14}.1^{15,19}.0^{2,7}]octacosa-1(25),2(7),3,5,10,12,14(28),15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol

CAS Registry Number

Not Available

SMILES

COC1=CC=C2CCC3=C(C=C(Cl)C(O)=C3Cl)C3=CC=C(\C=C/C4=CC(=C(O)C=C4)C1=C2)C(Cl)=C3O

InChI Identifier

InChI=1S/C29H21Cl3O4/c1-36-25-11-5-16-3-8-18-20(14-23(30)29(35)27(18)32)19-9-7-17(26(31)28(19)34)6-2-15-4-10-24(33)21(12-15)22(25)13-16/h2,4-7,9-14,33-35H,3,8H2,1H3/b6-2-

InChI Key

YHYFZZPAXLZZLU-KXFIGUGUSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
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 halophenols. These are aromatic compounds containing benzene substituted by a hydroxyl group and a halogen atom.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Anisole
Phenol ether
2-halophenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Aryl chloride
Aryl halide
Polyol
Ether
Organic oxygen compound
Organohalogen compound
Organochloride
Organooxygen compound
Hydrocarbon derivative
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	7.5	ALOGPS
logP	8.91	ChemAxon
logS	-6.8	ALOGPS
pKa (Strongest Acidic)	6.29	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	69.92 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	146.89 m³·mol⁻¹	ChemAxon
Polarizability	53.57 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

C00036054

Chemspider ID

10186435

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21576526

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol (NP0299853)

MOL for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

3D MOL for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

3D SDF for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

3D-SDF for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

PDB for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

3D PDB for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

SMILES for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

INCHI for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

Structure for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)

3D Structure for NP0299853 ((20e)-4,6,23-trichloro-13-methoxypentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol)