NP-MRD: Showing NP-Card for (1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione (NP0328483)

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Record Information

Version

1.0

Created at

2022-09-12 11:59:40 UTC

Updated at

2022-09-12 11:59:40 UTC

NP-MRD ID

NP0328483

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione

Description

(1S,2S,4R,12S,13R,15R,16S)-2-bromo-8-[(2R,3S)-1,1-dichloro-3-hydroxy-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]Octadeca-5(10),6,8-triene-11,17-dione belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. (1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione is found in Terpios hoshinota. It was first documented in 2022 (PMID: 36130844). Based on a literature review a significant number of articles have been published on (1S,2S,4R,12S,13R,15R,16S)-2-bromo-8-[(2R,3S)-1,1-dichloro-3-hydroxy-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]Octadeca-5(10),6,8-triene-11,17-dione (PMID: 36130843) (PMID: 36130842) (PMID: 36130841) (PMID: 36130840).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122213592D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309122213592D          

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   -0.5415   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3406   -0.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177   -1.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 10 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 30 29  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 32  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  1  0  0  0
 30 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 28 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0328483

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@@H](OC1=O)[C@@H](O)[C@H](C(Cl)Cl)C1=C(C)C2=C(C=C1)[C@@H]1C[C@H](Br)[C@]34O[C@H](C[C@]3(C)[C@H]1C2=O)[C@H](O)C4=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H29BrCl2O7/c1-9-6-14(36-25(9)35)20(31)18(24(29)30)11-4-5-12-13-7-16(28)27-23(34)21(32)15(37-27)8-26(27,3)19(13)22(33)17(12)10(11)2/h4-5,9,13-16,18-21,24,31-32H,6-8H2,1-3H3/t9-,13+,14-,15-,16+,18-,19-,20-,21+,26-,27-/m1/s1

> <INCHI_KEY>
HOPBGYXGMUHEQQ-GTYHCJTBSA-N

> <FORMULA>
C27H29BrCl2O7

> <MOLECULAR_WEIGHT>
616.33

> <EXACT_MASS>
614.047372

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
57.80001686407786

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,4R,12S,13R,15R,16S)-2-bromo-8-[(2R,3S)-1,1-dichloro-3-hydroxy-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0^{1,13}.0^{4,12}.0^{5,10}]octadeca-5(10),6,8-triene-11,17-dione

> <JCHEM_LOGP>
4.175305789666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.73511501069368

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.317208742176316

> <JCHEM_PKA_STRONGEST_BASIC>
-3.35002258653424

> <JCHEM_POLAR_SURFACE_AREA>
110.13

> <JCHEM_REFRACTIVITY>
139.09349999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,4R,12S,13R,15R,16S)-2-bromo-8-[(2R,3S)-1,1-dichloro-3-hydroxy-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0^{1,13}.0^{4,12}.0^{5,10}]octadeca-5(10),6,8-triene-11,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       8.216   2.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.904   0.929   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.054  -0.095   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.516   0.389   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.828   1.897   0.000  0.00  0.00           C+0
HETATM    6 Cl   UNK     0      12.290   2.381   0.000  0.00  0.00          Cl+0
HETATM    7 Cl   UNK     0       9.678   2.921   0.000  0.00  0.00          Cl+0
HETATM    8  C   UNK     0      11.666  -0.635   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      11.354  -2.143   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      13.128  -0.151   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.596   1.316   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.136   1.324   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.035   2.575   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.620  -0.138   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      17.087  -0.606   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      14.379  -1.050   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.742  -1.603   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.280  -2.087   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.130  -1.063   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.442   0.445   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.104   1.208   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.935   2.739   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.966   0.172   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.600  -1.232   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.684  -2.481   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.143  -2.229   0.000  0.00  0.00           C+0
HETATM   27 Br   UNK     0       1.273  -3.500   0.000  0.00  0.00          Br+0
HETATM   28  C   UNK     0       1.307  -0.808   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.419  -0.119   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -0.218   0.896   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.290   1.575   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.341   0.390   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.065   1.749   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.011  -0.933   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -2.502  -1.317   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       0.276  -1.930   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.406  -3.464   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4   17                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    4    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   10                                                       
CONECT   17    3   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19    2   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   32                                                  
CONECT   24   23   19   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   32   36                                             
CONECT   29   28   30                                                       
CONECT   30   29   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   23   28   33                                             
CONECT   33   32                                                            
CONECT   34   30   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   28   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₉BrCl₂O₇

Average Mass

616.3300 Da

Monoisotopic Mass

614.04737 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@@H](OC1=O)[C@@H](O)[C@H](C(Cl)Cl)C1=C(C)C2=C(C=C1)[C@@H]1C[C@H](Br)[C@]34O[C@H](C[C@]3(C)[C@H]1C2=O)[C@H](O)C4=O

InChI Identifier

InChI=1S/C27H29BrCl2O7/c1-9-6-14(36-25(9)35)20(31)18(24(29)30)11-4-5-12-13-7-16(28)27-23(34)21(32)15(37-27)8-26(27,3)19(13)22(33)17(12)10(11)2/h4-5,9,13-16,18-21,24,31-32H,6-8H2,1-3H3/t9-,13+,14-,15-,16+,18-,19-,20-,21+,26-,27-/m1/s1

InChI Key

HOPBGYXGMUHEQQ-GTYHCJTBSA-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
Terpios hoshinota	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Fluorenes

Sub Class

Not Available

Direct Parent

Fluorenes

Alternative Parents

Substituents

Fluorene
Indanone
Indane
Aryl alkyl ketone
Aryl ketone
3-furanone
Gamma butyrolactone
Cyclic alcohol
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Ketone
Carboxylic acid derivative
Dialkyl ether
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Ether
Alkyl bromide
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organohalogen compound
Alcohol
Organobromide
Organochloride
Carbonyl group
Alkyl halide
Alkyl chloride
Organooxygen compound
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
logP	4.18	ChemAxon
pKa (Strongest Acidic)	12.32	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	110.13 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	139.09 m³·mol⁻¹	ChemAxon
Polarizability	57.8 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

9642511

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11467677

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cani I, Righini M, Cenni P, Foschi M: Teaching NeuroImage: Partially Reversible Widespread Leukoencephalopathy Associated With Atypical Hemolytic Uremic Syndrome. Neurology. 2022 Sep 21. pii: WNL.0000000000201378. doi: 10.1212/WNL.0000000000201378. [PubMed:36130844 ]
Sasaki R, Morimoto S, Ozawa F, Okano H, Yoshida M, Ishiura H, Tsuji S, Kuzuhara S, Kokubo Y: APOE Alleles With Tau and Abeta Pathology In Patients With Amyotrophic Lateral Sclerosis and Parkinsonism-Dementia Complex in the Kii Peninsula. Neurology. 2022 Sep 21. pii: WNL.0000000000201156. doi: 10.1212/WNL.0000000000201156. [PubMed:36130843 ]
Zhang Z, Wang M, Gill D, Liu X: Genetically Predicted Smoking and Alcohol Consumption and Functional Outcome After Ischemic Stroke. Neurology. 2022 Sep 21. pii: WNL.0000000000201291. doi: 10.1212/WNL.0000000000201291. [PubMed:36130842 ]
Khamis S, Mitakidou MR, Champion M, Goyal S, Jones RL, Siddiqui A, Sabanathan S, Hedderly T, Lin JP, Jungbluth H, Papandreou A: Clinical Reasoning: A Teenage Girl With Progressive Hyperkinetic Movements, Seizures, and Encephalopathy. Neurology. 2022 Sep 21. pii: WNL.0000000000201385. doi: 10.1212/WNL.0000000000201385. [PubMed:36130841 ]
Rosenberg A, Ohlund-Wistbacka U, Hall A, Bonnard A, Hagman G, Ryden M, Thunborg C, Wiggenraad F, Sandebring-Matton A, Solomon A, Kivipelto M: beta-Amyloid, Tau, Neurodegeneration Classification and Eligibility for Anti-amyloid Treatment in a Memory Clinic Population. Neurology. 2022 Sep 21. pii: WNL.0000000000201043. doi: 10.1212/WNL.0000000000201043. [PubMed:36130840 ]
LOTUS database [Link]

Showing NP-Card for (1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione (NP0328483)

MOL for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

3D MOL for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

3D SDF for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

3D-SDF for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

PDB for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

3D PDB for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

SMILES for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

INCHI for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

Structure for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)

3D Structure for NP0328483 ((1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione)