NP-MRD: Showing NP-Card for (2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine (NP0240462)

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Record Information

Version

2.0

Created at

2022-09-07 00:17:15 UTC

Updated at

2022-09-07 00:17:15 UTC

NP-MRD ID

NP0240462

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine

Description

Neolaurallene 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. (2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine is found in Laurencia intricata. (2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine was first documented in 2008 (PMID: 19020474). Based on a literature review a small amount of articles have been published on Neolaurallene (PMID: 26197495) (PMID: 23194584) (PMID: 30600714).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -1.5002    3.1720   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2675    1.9549    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035    0.7451   -0.4325 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7494    0.3171   -0.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0947    0.1518    0.5027 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4521    0.7090    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -0.5009    0.0147 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5470   -1.0131   -1.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6656   -0.2017    0.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593    0.8557    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034    2.0039   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596    3.5373    0.4987 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7546   -1.4895    0.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806   -1.3164    0.7387 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3258   -2.0966   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -3.0100    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728   -2.6152    0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -1.2096    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0727   -0.3198   -0.1657 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5955   -1.2415   -1.7830 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253    2.9128   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    3.9443    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666    3.5440   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3513    2.2095    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507    1.8276    1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    1.0863   -1.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0752    0.6176    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129    1.1128   -0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    1.4983    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190   -0.8961   -1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3695   -0.4300   -1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8119   -2.0961   -1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2344   -0.6851    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155    1.8944   -1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786   -1.6784    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105   -1.4354   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040   -2.7170   -0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2475   -4.1089   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1999   -3.4211    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0305   -0.6982    1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6827   -1.2297    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9838    0.3160    0.0874 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  1  0
  6  7  1  0
  7  8  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  7  9  1  1
  9 10  2  0
 10 11  2  0
 11 12  1  0
 19  3  1  0
 14  5  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  6
  5 27  1  1
  6 28  1  0
  6 29  1  0
  8 30  1  0
  8 31  1  0
  8 32  1  0
 14 35  1  1
 15 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 18 41  1  0
 19 42  1  1
  9 33  1  0
 11 34  1  0
M  END


  Mrv1652309072202172D          

 20 21  0  0  1  0            999 V2000
    2.6593   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    0.3182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9283    0.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980    1.0934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3866    0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8716    1.5059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4847    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2693    1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0539    1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2254    0.7411    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866    2.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980    1.9184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9283    2.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    2.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    2.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    0.7307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0872    0.2004    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  1  0  0  0
  9 10  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 14 13  1  6  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0240462

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C16H22Br2O2/c1-3-13-12(18)7-4-5-8-14-15(19-13)11-16(2,20-14)9-6-10-17/h4-5,9-10,12-15H,3,7-8,11H2,1-2H3/b5-4-/t6?,12-,13+,14+,15+,16+/m0/s1

> <INCHI_KEY>
CYIVDULZVDQIIM-FKSLMHFYSA-N

> <FORMULA>
C16H22Br2O2

> <MOLECULAR_WEIGHT>
406.158

> <EXACT_MASS>
403.998656

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
35.905775754105356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3aR,5R,6S,10aR)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-2H,3H,3aH,5H,6H,7H,10H,10aH-furo[3,2-b]oxonine

> <JCHEM_LOGP>
4.657826633666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9144309740904037

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
90.46459999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3aR,5R,6S,10aR)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3H,3aH,5H,6H,7H,10H,10aH-furo[3,2-b]oxonine

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       4.964  -1.449   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.517  -0.923   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.249   0.594   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.733   0.861   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.743   2.041   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.722   1.565   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.627   2.811   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.771   1.781   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.771   3.842   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.236   3.366   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.701   2.890   0.000  0.00  0.00           C+0
HETATM   12 Br   UNK     0      -6.021   1.383   0.000  0.00  0.00          Br+0
HETATM   13  O   UNK     0      -0.722   4.057   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.743   3.581   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.733   4.761   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.249   5.028   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.583   4.258   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.110   2.811   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.583   1.364   0.000  0.00  0.00           C+0
HETATM   20 Br   UNK     0       5.763   0.374   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9   13                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    7   14                                                       
CONECT   14   13    5   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    3   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₂Br₂O₂

Average Mass

406.1580 Da

Monoisotopic Mass

403.99866 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C16H22Br2O2/c1-3-13-12(18)7-4-5-8-14-15(19-13)11-16(2,20-14)9-6-10-17/h4-5,9-10,12-15H,3,7-8,11H2,1-2H3/b5-4-/t6?,12-,13+,14+,15+,16+/m0/s1

InChI Key

CYIVDULZVDQIIM-FKSLMHFYSA-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 intricata	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
Oxacycle
Vinyl halide
Vinyl bromide
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organobromide
Organohalogen compound
Alkyl halide
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

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

101083518

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ji NY, Li XM, Wang BG: Halogenated terpenes and a C(15)-acetogenin from the marine red alga Laurencia saitoi. Molecules. 2008 Nov 20;13(11):2894-9. doi: 10.3390/molecules13112894. [PubMed:19020474 ]
Kamada T, Vairappan CS: New Laurene-type Sesquiterpene from Bornean Laurencia nangii. Nat Prod Commun. 2015 Jun;10(6):843-4. [PubMed:26197495 ]
Kim MJ, Sohn TI, Kim D, Paton RS: Concise substrate-controlled asymmetric total syntheses of dioxabicyclic marine natural products with 2,10-dioxabicyclo-[7.3.0]dodecene and 2,9-dioxabicyclo[6.3.0]undecene skeletons. J Am Chem Soc. 2012 Dec 12;134(49):20178-88. doi: 10.1021/ja310249u. Epub 2012 Nov 29. [PubMed:23194584 ]
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LOTUS database [Link]

Showing NP-Card for (2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine (NP0240462)

MOL for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

3D MOL for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

3D SDF for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

3D-SDF for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

PDB for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

3D PDB for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

SMILES for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

INCHI for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

Structure for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)

3D Structure for NP0240462 ((2s,3ar,5r,6s,10ar)-6-bromo-2-(3-bromopropa-1,2-dien-1-yl)-5-ethyl-2-methyl-3h,3ah,5h,6h,7h,10h,10ah-furo[3,2-b]oxonine)