NP-MRD: Showing NP-Card for (1r,2s,3s,5s,7s,8r,10s,11s)-8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol (NP0281058)

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Record Information

Version

2.0

Created at

2022-09-09 07:10:48 UTC

Updated at

2022-09-09 07:10:48 UTC

NP-MRD ID

NP0281058

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,3s,5s,7s,8r,10s,11s)-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

Obtusallene VII 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,2s,3s,5s,7s,8r,10s,11s)-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 obtusa. (1r,2s,3s,5s,7s,8r,10s,11s)-8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol was first documented in 2009 (PMID: 19199664). Based on a literature review very few articles have been published on Obtusallene VII.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -1.3033    3.1175    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427    2.0369   -0.2332 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7746    0.8528    0.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984   -0.1853   -0.0622 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9423    0.0570   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5997   -0.1733    0.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1566   -0.3241    2.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251    1.1859    3.2647 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420   -1.4163    0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418   -2.4351    0.0851 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2031   -3.5091    0.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -2.1176   -0.4442 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7516   -3.9172   -0.7690 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9149   -1.3832    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8698   -0.3967   -0.0208 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5873    0.9524    0.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    1.1702   -0.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1380    0.8768   -1.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1518   -0.1936   -1.4516 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2435   -1.6865   -2.5784 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7539    2.3895   -0.3924 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8805    3.3652   -1.8852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322    4.1056    0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    2.8341    1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762    3.2514    1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571    2.0272   -1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -0.4348   -1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5422    0.3932   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5480   -1.2878    2.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -1.8896    1.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881   -1.1468    1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9390   -2.8806   -0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462   -3.7724    1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8663   -1.7349   -1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788   -0.9094    1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571   -2.1697    1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720   -0.5542    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960    0.3156   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922    1.7825   -2.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.4842   -2.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    0.3458   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070    2.9743    0.4867 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  6
 14 35  1  0
 14 36  1  0
 15 37  1  1
 17 38  1  1
 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


  Mrv1652309092209102D          

 22 23  0  0  1  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  2  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  2  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
    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  2  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  2  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  2  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  2  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  2  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  1  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
  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  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 17 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0281058

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@@H](C[C@H](O)[C@H](Br)C[C@@H]2O[C@H](C[C@@H]2Br)[C@H]1Cl)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/t2?,8-,9+,10+,11-,12-,13-,14+,15-/m0/s1

> <INCHI_KEY>
PNVXEWZNEKYTMJ-BHIJAYKMSA-N

> <FORMULA>
C15H20Br3ClO3

> <MOLECULAR_WEIGHT>
523.48

> <EXACT_MASS>
519.865111

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
40.70967956338072

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3S,5S,7S,8R,10S,11S)-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_LOGP>
3.8737831136666667

> <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>
98.17759999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3S,5S,7S,8R,10S,11S)-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                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         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      11.440   0.280   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.301   1.814   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.162   3.348   0.000  0.00  0.00           C+0
HETATM    8 Br   UNK     0       9.764   3.994   0.000  0.00  0.00          Br+0
HETATM    9  C   UNK     0      10.160  -2.147   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.689  -2.602   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.763  -1.372   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.764  -4.011   0.000  0.00  0.00           C+0
HETATM   13 Br   UNK     0       8.486  -5.371   0.000  0.00  0.00          Br+0
HETATM   14  C   UNK     0       6.224  -3.989   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.473  -2.645   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.262  -1.322   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.510   0.022   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.037  -0.609   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.015  -2.149   0.000  0.00  0.00           C+0
HETATM   20 Br   UNK     0       2.757  -3.036   0.000  0.00  0.00          Br+0
HETATM   21  C   UNK     0       6.299   1.345   0.000  0.00  0.00           C+0
HETATM   22 Cl   UNK     0       5.548   2.689   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
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   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19                                                            
CONECT   21   17    2   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

(1R,2S,3S,5S,7S,8R,10S,11S)-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

(1R,2S,3S,5S,7S,8R,10S,11S)-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

C[C@@H]1O[C@@H](C[C@H](O)[C@H](Br)C[C@@H]2O[C@H](C[C@@H]2Br)[C@H]1Cl)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/t2?,8-,9+,10+,11-,12-,13-,14+,15-/m0/s1

InChI Key

PNVXEWZNEKYTMJ-BHIJAYKMSA-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 obtusa	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
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	3.87	ChemAxon
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	40.71 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

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10478562

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21632527

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Braddock DC, Millan DS, Perez-Fuertes Y, Pouwer RH, Sheppard RN, Solanki S, White AJ: Bromonium ion induced transannular oxonium ion formation-fragmentation in model obtusallene systems and structural reassignment of obtusallenes V-VII. J Org Chem. 2009 Mar 6;74(5):1835-41. doi: 10.1021/jo8026577. [PubMed:19199664 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s,3s,5s,7s,8r,10s,11s)-8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol (NP0281058)

MOL for NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-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 NP0281058 ((1r,2s,3s,5s,7s,8r,10s,11s)-8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol)