NP-MRD: Showing NP-Card for (1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene (NP0205252)

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Record Information

Version

2.0

Created at

2022-09-05 01:07:08 UTC

Updated at

2022-09-05 01:07:08 UTC

NP-MRD ID

NP0205252

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene

Description

(1R,2S,4S,7R,12S)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]Trideca-5,9-diene belongs to the class of organic compounds known as vinyl bromides. These are vinyl halides in which a bromine atom is bonded to an sp2-hybridised carbon atom. (1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene is found in Laurencia dendroidea. Based on a literature review very few articles have been published on (1R,2S,4S,7R,12S)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]Trideca-5,9-diene.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -0.4866   -3.0952    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1955   -1.7281   -0.1550 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0509   -1.2495    0.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.4242   -0.7118 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8288   -1.1462   -1.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9908   -0.7918   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769   -0.4258   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4038   -1.3237    1.5295 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.8915   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    1.9520   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4366    2.5417   -1.1422 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1367    4.0319   -1.7952 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940    2.7886   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693    1.5228   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936    1.3950    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5062    0.1014    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6095   -1.1113    0.3242 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9957   -2.0395    2.0025 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979   -0.6918    0.2532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7808   -0.1718    1.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    0.3322   -0.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327   -3.1080    1.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195   -3.3543    0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670   -3.8198   -0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.8225   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9927   -0.2338   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8704   -1.9445   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6121    0.3378   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654    0.9701    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240    2.5104    0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549    1.7974   -1.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5261    3.2370   -1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272    3.5290    0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562    2.2601    0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201    0.1327   -0.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2614    0.0965    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158   -1.7632   -0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -0.6292    2.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908    0.9269    1.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -0.4809    1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  2  0
  7  8  1  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  1
 19 21  1  0
 19  2  1  0
 21 14  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  6
  4 26  1  6
  5 27  1  0
  7 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  6
 13 32  1  0
 13 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  6
 20 38  1  0
 20 39  1  0
 20 40  1  0
M  END


  Mrv1652309052203072D          

 21 22  0  0  1  0            999 V2000
    1.8414    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0789    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    2.3645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3164    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    4.5079    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4914   -0.4934    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    2.3645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6039    3.0789    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    2.3645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0205252

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@H](C=C=CBr)\C=C\[C@H](Cl)CC2=CC[C@H](Br)[C@]1(C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C16H19Br2ClO2/c1-11-16(2)15(18)8-7-14(21-16)10-12(19)5-6-13(20-11)4-3-9-17/h4-7,9,11-13,15H,8,10H2,1-2H3/b6-5+/t3?,11-,12-,13+,15-,16+/m0/s1

> <INCHI_KEY>
XPMLCFUIUABHBX-WXVKYBIVSA-N

> <FORMULA>
C16H19Br2ClO2

> <MOLECULAR_WEIGHT>
438.58

> <EXACT_MASS>
435.944034

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
37.05640750012256

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,4S,5E,7R,12S)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene

> <JCHEM_LOGP>
4.527304549666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.1396431579899255

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
96.44749999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,4S,5E,7R,12S)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       3.437   7.081   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.207   5.747   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.747   5.747   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       6.517   4.414   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.057   4.414   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.827   5.747   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.597   7.081   0.000  0.00  0.00           C+0
HETATM    8 Br   UNK     0       8.827   8.415   0.000  0.00  0.00          Br+0
HETATM    9  C   UNK     0       5.747   3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.517   1.746   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.747   0.413   0.000  0.00  0.00           C+0
HETATM   12 Cl   UNK     0       6.517  -0.921   0.000  0.00  0.00          Cl+0
HETATM   13  C   UNK     0       4.207   0.413   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.437   1.746   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.897   1.746   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.127   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.897   4.414   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0       1.127   5.747   0.000  0.00  0.00          Br+0
HETATM   19  C   UNK     0       3.437   4.414   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   5.747   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.207   3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    4   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17    2   20   21                                             
CONECT   20   19                                                            
CONECT   21   19   14                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₉Br₂ClO₂

Average Mass

438.5800 Da

Monoisotopic Mass

435.94403 Da

IUPAC Name

(1R,2S,4S,5E,7R,12S)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene

Traditional Name

(1R,2S,4S,5E,7R,12S)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@H](C=C=CBr)\C=C\[C@H](Cl)CC2=CC[C@H](Br)[C@]1(C)O2

InChI Identifier

InChI=1S/C16H19Br2ClO2/c1-11-16(2)15(18)8-7-14(21-16)10-12(19)5-6-13(20-11)4-3-9-17/h4-7,9,11-13,15H,8,10H2,1-2H3/b6-5+/t3?,11-,12-,13+,15-,16+/m0/s1

InChI Key

XPMLCFUIUABHBX-WXVKYBIVSA-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
Laurencia dendroidea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as vinyl bromides. These are vinyl halides in which a bromine atom is bonded to an sp2-hybridised carbon atom.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Vinyl halides

Sub Class

Vinyl bromides

Direct Parent

Vinyl bromides

Alternative Parents

Substituents

Oxacycle
Organoheterocyclic compound
Vinyl bromide
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organochloride
Organobromide
Alkyl halide
Alkyl chloride
Alkyl bromide
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	4.53	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	18.46 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	96.45 m³·mol⁻¹	ChemAxon
Polarizability	37.06 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

163090591

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene (NP0205252)

MOL for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

3D MOL for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

3D SDF for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

3D-SDF for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

PDB for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

3D PDB for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

SMILES for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

INCHI for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

Structure for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)

3D Structure for NP0205252 ((1r,2s,4s,5e,7r,12s)-12-bromo-4-(3-bromopropa-1,2-dien-1-yl)-7-chloro-1,2-dimethyl-3,13-dioxabicyclo[7.3.1]trideca-5,9-diene)