NP-MRD: Showing NP-Card for (1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene (NP0152262)

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Record Information

Version

2.0

Created at

2022-09-02 08:42:02 UTC

Updated at

2022-09-02 08:42:02 UTC

NP-MRD ID

NP0152262

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene

Description

Obtusallene IV belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms. (1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene is found in Aplysia dactylomela and Laurencia dendroidea. (1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene was first documented in 2011 (PMID: 21338119). Based on a literature review a small amount of articles have been published on Obtusallene IV (PMID: 27704814) (PMID: 26967625).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.4838   -2.4257    0.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636   -2.0080   -0.6450 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6341   -2.7370   -0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160   -2.2863   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912   -1.0517   -0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0227   -0.1906    0.2641 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7985    0.4978   -0.1550 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1341    0.9095    0.6820 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4374    2.2573    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042    2.8337    0.0343 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5766    3.3087    1.6732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061    1.6015   -0.4342 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1651    1.5621   -0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211    0.0897   -0.1288 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8795   -0.0786   -0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331    0.4183    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978    0.8120    1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1733   -0.4570    2.3561 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5715   -0.6555   -0.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    0.6206    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5444   -2.2884    0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -3.5427    0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784   -2.0175    1.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271   -2.3552   -1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754   -3.7844   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -2.8352    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707   -0.5055   -1.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4100   -1.3347   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1669   -0.8751    1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488    1.0445    1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    2.8816    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8560    2.2261   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9419    3.6501   -0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398    1.4749   -1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    2.1630    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.8806   -1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561   -0.0855    0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642   -0.5292   -1.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    1.8118    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 19  1  0
 19 14  1  0
 14 13  1  0
 13 12  1  0
 12 20  1  0
 20  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8  6  1  0
  6  7  1  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
 14 15  1  0
 15 16  2  0
 16 17  2  0
 17 18  1  0
  3  2  1  0
 10 12  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  6
 14 37  1  1
 13 35  1  0
 13 36  1  0
 12 34  1  6
  8 30  1  1
  9 31  1  0
  9 32  1  0
 10 33  1  6
  6 29  1  1
  5 27  1  0
  5 28  1  0
  4 26  1  0
  3 25  1  0
 15 38  1  0
 17 39  1  0
M  END


  Mrv1652309022210422D          

 20 21  0  0  1  0            999 V2000
    3.9888    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695   -0.0921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8440   -0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799   -1.8025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5544   -2.5605    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -1.1415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1789   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066   -0.0885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9503    0.2687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4407    0.4839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1017    0.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755    0.5016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9957    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173    1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8389    2.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402    2.2664    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6758    0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7061   -0.2973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
  2 19  1  0  0  0  0
 12 20  1  6  0  0  0
  8 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0152262

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@H](C[C@H]2O[C@@H](C[C@H]2Cl)[C@@H](Br)C\C=C\1)C=C=CBr

> <INCHI_IDENTIFIER>
InChI=1S/C15H19Br2ClO2/c1-10-4-2-6-12(17)14-9-13(18)15(20-14)8-11(19-10)5-3-7-16/h2,4-5,7,10-15H,6,8-9H2,1H3/b4-2+/t3?,10-,11-,12-,13+,14-,15+/m0/s1

> <INCHI_KEY>
OHWBWBOWCXAQRI-DXYZULMISA-N

> <FORMULA>
C15H19Br2ClO2

> <MOLECULAR_WEIGHT>
426.57

> <EXACT_MASS>
423.944034

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
35.775640902357615

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3R,5S,6E,9S,10S,12R)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene

> <ALOGPS_LOGP>
5.09

> <JCHEM_LOGP>
4.350283018333332

> <ALOGPS_LOGS>
-5.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9034575318532325

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
90.42630000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.32e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,5S,6E,9S,10S,12R)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       7.446   0.009   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.916  -0.172   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.309  -1.587   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.779  -1.768   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.172  -3.183   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.643  -3.365   0.000  0.00  0.00           C+0
HETATM    7 Br   UNK     0       1.035  -4.780   0.000  0.00  0.00          Br+0
HETATM    8  C   UNK     0       0.721  -2.131   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.201  -1.704   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.252  -0.165   0.000  0.00  0.00           C+0
HETATM   11 Cl   UNK     0       3.641   0.501   0.000  0.00  0.00          Cl+0
HETATM   12  C   UNK     0       0.823   0.903   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.056   1.825   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.314   0.936   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.725   2.420   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.646   3.518   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.566   4.617   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0       0.075   4.231   0.000  0.00  0.00          Br+0
HETATM   19  O   UNK     0       4.995   1.062   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.318  -0.555   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   20                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   14    2                                                       
CONECT   20   12    8                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₉Br₂ClO₂

Average Mass

426.5700 Da

Monoisotopic Mass

423.94403 Da

IUPAC Name

(1R,3R,5S,6E,9S,10S,12R)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene

Traditional Name

(1R,3R,5S,6E,9S,10S,12R)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@H](C[C@H]2O[C@@H](C[C@H]2Cl)[C@@H](Br)C\C=C\1)C=C=CBr

InChI Identifier

InChI=1S/C15H19Br2ClO2/c1-10-4-2-6-12(17)14-9-13(18)15(20-14)8-11(19-10)5-3-7-16/h2,4-5,7,10-15H,6,8-9H2,1H3/b4-2+/t3?,10-,11-,12-,13+,14-,15+/m0/s1

InChI Key

OHWBWBOWCXAQRI-DXYZULMISA-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
Aplysia dactylomela	LOTUS Database	35616633
Laurencia dendroidea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxolanes

Sub Class

Not Available

Direct Parent

Oxolanes

Alternative Parents

Substituents

Oxolane
Dialkyl ether
Ether
Vinyl bromide
Vinyl halide
Oxacycle
Organooxygen compound
Organochloride
Organobromide
Organohalogen compound
Alkyl bromide
Organic oxygen compound
Alkyl chloride
Alkyl halide
Hydrocarbon derivative
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	5.09	ALOGPS
logP	4.35	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Basic)	-3.9	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	90.43 m³·mol⁻¹	ChemAxon
Polarizability	35.78 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

17211301

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21673520

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Clarke J, Bonney KJ, Yaqoob M, Solanki S, Rzepa HS, White AJ, Millan DS, Braddock DC: Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D. J Org Chem. 2016 Oct 21;81(20):9539-9552. doi: 10.1021/acs.joc.6b02008. Epub 2016 Oct 5. [PubMed:27704814 ]
Gutierrez-Cepeda A, Fernandez JJ, Norte M, Lopez-Rodriguez M, Brito I, Muller CD, Souto ML: Additional Insights into the Obtusallene Family: Components of Laurencia marilzae. J Nat Prod. 2016 Apr 22;79(4):1184-8. doi: 10.1021/acs.jnatprod.5b01080. Epub 2016 Mar 11. [PubMed:26967625 ]
Gutierrez-Cepeda A, Fernandez JJ, Gil LV, Lopez-Rodriguez M, Norte M, Souto ML: Nonterpenoid C15 acetogenins from Laurencia marilzae. J Nat Prod. 2011 Mar 25;74(3):441-8. doi: 10.1021/np100866g. Epub 2011 Feb 21. [PubMed:21338119 ]
LOTUS database [Link]

Showing NP-Card for (1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene (NP0152262)

MOL for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

3D MOL for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

3D SDF for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

3D-SDF for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

PDB for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

3D PDB for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

SMILES for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

INCHI for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

Structure for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)

3D Structure for NP0152262 ((1r,3r,5s,6e,9s,10s,12r)-9-bromo-3-(3-bromopropa-1,2-dien-1-yl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene)