NP-MRD: Showing NP-Card for (6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene (NP0187341)

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Record Information

Version

2.0

Created at

2022-09-04 03:29:03 UTC

Updated at

2022-09-04 03:29:03 UTC

NP-MRD ID

NP0187341

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene

Description

Axisonitrile-3 belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. (6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene was first documented in 2003 (PMID: 12547260). Based on a literature review a small amount of articles have been published on Axisonitrile-3 (PMID: 31903473) (PMID: 21042642) (PMID: 18603800) (PMID: 16931436).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.0806    1.7560    2.5001 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7076    0.8986    1.7937 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.2408   -0.1187    0.9337 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2884   -0.5714   -0.0331 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3675   -1.4216    0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810   -1.8564   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990   -0.7638    1.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812    0.6343   -0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554    1.5044   -1.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022    1.6869   -0.5853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4396    2.2830   -1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891    0.4888    0.1368 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6356   -0.4799   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871   -0.8546   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7961   -1.8188   -0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797   -0.1522    1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767    0.9511    1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419   -0.9691    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636   -1.1528   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -2.3479    1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869   -2.8208   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7168   -1.9601   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974   -1.1273   -0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497   -1.4758    1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6801   -0.6576    2.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    0.1605    1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    1.2329   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    0.2715   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183    2.5032   -1.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865    1.1382   -2.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    2.4818    0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    3.3865   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307    1.8006   -1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570    2.1667   -2.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2733   -0.8756   -1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0861   -2.4770    0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6933   -1.2520   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3814   -2.4652   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0231    0.2014    1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837   -0.8447    2.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5323    1.0266    2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386    1.8902    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  5  7  1  0
  5  4  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 17  1  0
 17 16  1  0
 16 14  1  0
 14 15  1  0
 14 13  2  0
 12  3  1  0
  3  2  1  0
  2  1  3  0
  3  4  1  0
 12 13  1  6
  6 21  1  0
  6 22  1  0
  6 23  1  0
  5 20  1  0
  7 24  1  0
  7 25  1  0
  7 26  1  0
  4 19  1  6
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  1
 11 32  1  0
 11 33  1  0
 11 34  1  0
 17 41  1  0
 17 42  1  0
 16 39  1  0
 16 40  1  0
 15 36  1  0
 15 37  1  0
 15 38  1  0
 13 35  1  0
  3 18  1  1
M  CHG  2   1  -1   2   1
M  END


  Mrv1652309042205292D          

 17 18  0  0  1  0            999 V2000
    0.8570    2.5559    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.2695    1.8414    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6820    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5070    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9195    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2695   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  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
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <DATABASE_ID>
NP0187341

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1CC[C@@H](C)C2(CCC(C)=C2)[C@@H]1[N+]#[C-]

> <INCHI_IDENTIFIER>
InChI=1S/C16H25N/c1-11(2)14-7-6-13(4)16(15(14)17-5)9-8-12(3)10-16/h10-11,13-15H,6-9H2,1-4H3/t13-,14+,15-,16?/m1/s1

> <INCHI_KEY>
CLJZNXABBGEKKI-IUOOZAAYSA-N

> <FORMULA>
C16H25N

> <MOLECULAR_WEIGHT>
231.383

> <EXACT_MASS>
231.198699809

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
28.29556398194142

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6R,7S,10R)-6-isocyano-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-ene

> <JCHEM_LOGP>
2.274265931124053

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.118857816439757

> <JCHEM_POLAR_SURFACE_AREA>
4.36

> <JCHEM_REFRACTIVITY>
82.3637

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(6R,7S,10R)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       1.600   4.771   0.000  0.00  0.00           C-1
HETATM    2  N   UNK     0       2.370   3.437   0.000  0.00  0.00           N+1
HETATM    3  C   UNK     0       3.140   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.680   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.450   3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.990   3.437   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.680   4.771   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.450   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.680  -0.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.140  -0.564   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.370  -1.897   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.246  -0.905   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.465   2.016   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    3   13   17                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   12                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

View in JSmol

Synonyms

Value	Source
Axisonitrile 3	MeSH

Chemical Formula

C₁₆H₂₅N

Average Mass

231.3830 Da

Monoisotopic Mass

231.19870 Da

IUPAC Name

(6R,7S,10R)-6-isocyano-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-ene

Traditional Name

(6R,7S,10R)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1CC[C@@H](C)C2(CCC(C)=C2)[C@@H]1[N+]#[C-]

InChI Identifier

InChI=1S/C16H25N/c1-11(2)14-7-6-13(4)16(15(14)17-5)9-8-12(3)10-16/h10-11,13-15H,6-9H2,1-4H3/t13-,14+,15-,16?/m1/s1

InChI Key

CLJZNXABBGEKKI-IUOOZAAYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Menthane monoterpenoids

Alternative Parents

Substituents

P-menthane monoterpenoid
Organic isocyanide
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	2.27	ChemAxon
pKa (Strongest Acidic)	16.12	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	4.36 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	82.36 m³·mol⁻¹	ChemAxon
Polarizability	28.3 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

421137

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

479948

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wright AD: GC-MS and NMR analysis of Phyllidiella pustulosa and one of its dietary sources, the sponge Phakellia carduus. Comp Biochem Physiol A Mol Integr Physiol. 2003 Feb;134(2):307-13. doi: 10.1016/s1095-6433(02)00265-9. [PubMed:12547260 ]
Hosokawa S, Nakanishi K, Udagawa Y, Maeda M, Sato S, Nakano K, Masuda T, Ichikawa Y: Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products. Org Biomol Chem. 2020 Jan 28;18(4):687-693. doi: 10.1039/c9ob02249j. Epub 2020 Jan 6. [PubMed:31903473 ]
Wright AD, McCluskey A, Robertson MJ, MacGregor KA, Gordon CP, Guenther J: Anti-malarial, anti-algal, anti-tubercular, anti-bacterial, anti-photosynthetic, and anti-fouling activity of diterpene and diterpene isonitriles from the tropical marine sponge Cymbastela hooperi. Org Biomol Chem. 2011 Jan 21;9(2):400-7. doi: 10.1039/c0ob00326c. Epub 2010 Nov 2. [PubMed:21042642 ]
Ohta E, Uy MM, Ohta S, Yanai M, Hirata T, Ikegami S: Anti-fertilization activity of a spirocyclic sesquiterpene isocyanide isolated from the marine sponge Geodia exigua and related compounds. Biosci Biotechnol Biochem. 2008 Jul;72(7):1764-71. doi: 10.1271/bbb.80071. Epub 2008 Jul 7. [PubMed:18603800 ]
Yan XH, Zhu XZ, Yu JL, Jin DZ, Guo YW, Mollo E, Cimino G: 3-Oxo-axisonitrile-3, a new sesquiterpene isocyanide from the Chinese marine sponge Acanthella sp. J Asian Nat Prod Res. 2006 Sep;8(6):579-84. doi: 10.1080/10286020410001721096. [PubMed:16931436 ]
LOTUS database [Link]

Showing NP-Card for (6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene (NP0187341)

MOL for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

3D MOL for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

3D SDF for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

3D-SDF for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

PDB for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

3D PDB for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

SMILES for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

INCHI for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

Structure for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)

3D Structure for NP0187341 ((6r,7s,10r)-6-isocyano-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-ene)