NP-MRD: Showing NP-Card for 8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol (NP0183866)

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Record Information

Version

2.0

Created at

2022-09-03 22:51:22 UTC

Updated at

2022-09-03 22:51:22 UTC

NP-MRD ID

NP0183866

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol

Description

8,11-Dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]Tridecan-7-ol belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. 8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol is found in Laurencia dendroidea. 8,11-Dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]Tridecan-7-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.5624   -2.6914   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -1.6930   -0.5082 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4990   -0.6683    0.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    0.0936    0.2915 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5863   -0.1986    1.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8581    0.1046    1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057    0.3066    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9435   -1.1197   -0.0730 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3346    1.5869    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091    2.0077   -0.7328 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0884    2.9918   -1.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8118    2.6614   -0.1717 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8787    3.4650   -1.5904 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078    1.7183    0.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4126    0.7309   -0.3284 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5934   -0.2108   -0.8766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0394   -1.4628   -0.5555 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9172   -1.3343    0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5058    0.0625    0.4304 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0778   -0.0407   -0.6814 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -2.4072   -0.3215 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9468   -3.7138   -1.5265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.9564    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -3.6077   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -2.2907   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -1.3290   -1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -0.1093   -0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -0.6195    2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540    1.2678    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    1.8116    1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3348    2.1072    0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1791    1.1991   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062    3.6051   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4831    3.4422    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5266    2.3514    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    1.2220    1.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8635    1.3260   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999   -1.8587   -1.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7265   -2.1041    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932   -1.3526    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198    0.5322    1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653   -2.8253    0.6964 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  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 17 21  1  0
 21 22  1  0
  4  5  1  0
  5  6  2  0
  6  7  2  0
  7  8  1  0
 21  2  1  0
 19 15  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  6
  4 27  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  6
 11 33  1  0
 12 34  1  1
 14 35  1  0
 14 36  1  0
 15 37  1  6
 17 38  1  6
 18 39  1  0
 18 40  1  0
 19 41  1  1
 21 42  1  1
  5 28  1  0
  7 29  1  0
M  END


  Mrv1533004201502572D          

 22 23  0  0  0  0            999 V2000
    4.6065    1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6736   -0.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4546   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430   -1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6549   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589   -0.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1593   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -2.8775    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3344   -2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -0.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510   -1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -1.6265    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3745    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    1.4406    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    0.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541    0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9794    1.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    2.1395    0.0000 Br  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
  5  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0183866

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(CC(O)C(Br)CC2OC(CC2Br)C1Cl)C=C=CBr

> <INCHI_IDENTIFIER>
InChI=1S/C15H20Br3ClO3/c1-8-15(19)14-7-11(18)13(22-14)6-10(17)12(20)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3

> <INCHI_KEY>
PNVXEWZNEKYTMJ-UHFFFAOYSA-N

> <FORMULA>
C15H20Br3ClO3

> <MOLECULAR_WEIGHT>
523.48

> <EXACT_MASS>
519.865111

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
40.579950512878284

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol

> <ALOGPS_LOGP>
4.36

> <JCHEM_LOGP>
3.8737831136666667

> <ALOGPS_LOGS>
-4.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.057332749784642

> <JCHEM_PKA_STRONGEST_BASIC>
-3.211122655244198

> <JCHEM_POLAR_SURFACE_AREA>
38.69

> <JCHEM_REFRACTIVITY>
98.1776

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.23e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0       8.599   2.663   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.839   1.323   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.724  -0.111   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      10.182  -0.607   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.160  -2.147   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.689  -2.602   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.763  -1.372   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.764  -4.011   0.000  0.00  0.00           C+0
HETATM    9 Br   UNK     0       8.486  -5.371   0.000  0.00  0.00          Br+0
HETATM   10  C   UNK     0       6.224  -3.989   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.473  -2.645   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.262  -1.322   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.510   0.022   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.037  -0.609   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.015  -2.149   0.000  0.00  0.00           C+0
HETATM   16 Br   UNK     0       2.757  -3.036   0.000  0.00  0.00          Br+0
HETATM   17  C   UNK     0       6.299   1.345   0.000  0.00  0.00           C+0
HETATM   18 Cl   UNK     0       5.548   2.689   0.000  0.00  0.00          Cl+0
HETATM   19  C   UNK     0      11.440   0.280   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.301   1.814   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.162   3.348   0.000  0.00  0.00           C+0
HETATM   22 Br   UNK     0       9.764   3.994   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   19                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   11   16                                                  
CONECT   16   15                                                            
CONECT   17   13    2   18                                                  
CONECT   18   17                                                            
CONECT   19    4   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀Br₃ClO₃

Average Mass

523.4800 Da

Monoisotopic Mass

519.86511 Da

IUPAC Name

8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol

Traditional Name

8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol

CAS Registry Number

Not Available

SMILES

CC1OC(CC(O)C(Br)CC2OC(CC2Br)C1Cl)C=C=CBr

InChI Identifier

InChI=1S/C15H20Br3ClO3/c1-8-15(19)14-7-11(18)13(22-14)6-10(17)12(20)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3

InChI Key

PNVXEWZNEKYTMJ-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
Laurencia dendroidea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrahydrofurans

Sub Class

Not Available

Direct Parent

Tetrahydrofurans

Alternative Parents

Substituents

Tetrahydrofuran
Bromohydrin
Halohydrin
Secondary alcohol
Dialkyl ether
Ether
Oxacycle
Vinyl halide
Vinyl bromide
Organobromide
Organohalogen compound
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organochloride
Organooxygen compound
Alkyl bromide
Alkyl chloride
Alkyl halide
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	4.36	ALOGPS
logP	3.87	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	14.06	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	38.69 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	98.18 m³·mol⁻¹	ChemAxon
Polarizability	40.58 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

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FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

73815885

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol (NP0183866)

MOL for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

3D MOL for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

3D SDF for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

3D-SDF for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

PDB for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

3D PDB for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

SMILES for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

INCHI for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

Structure for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)

3D Structure for NP0183866 (8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)