NP-MRD: Showing NP-Card for (1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione (NP0214043)

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Record Information

Version

2.0

Created at

2022-09-05 13:13:45 UTC

Updated at

2022-09-05 13:13:45 UTC

NP-MRD ID

NP0214043

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione

Description

Stemoninoamide belongs to the class of organic compounds known as stemoamide-type alkaloids. These are alkaloids which include a tricyclic 2H-furo[3,2-c]pyrrolo[1,2-a]azepine nucleus. (1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione is found in Stemona sessilifolia and Stemona tuberosa. (1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione was first documented in 2008 (PMID: 18452334). Based on a literature review very few articles have been published on stemoninoamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.1662    1.8776   -1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392    1.0104   -1.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    0.4508   -0.6514 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6305   -0.4283   -0.6819 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8987    0.2803   -0.6323 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6942    1.6248    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429    2.1332    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8589    0.8887    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0425    0.8688    0.7836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066   -0.2531    0.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519   -1.5490    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -2.3784    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161   -2.6227    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027   -1.4241    0.3618 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0194   -1.7685   -0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -0.5312   -0.1962 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2815   -0.1636    1.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -0.0537    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821    0.2974    2.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9079   -0.3407   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0609   -0.3437   -0.9332 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.6175   -1.0776 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218    2.8421   -2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275    1.4721   -2.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679    2.1142   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    0.1316   -2.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999    1.5364   -2.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727    1.2458    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.9637   -1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2684    0.5522   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    2.3002   -0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478    1.5013    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630    2.4499   -1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3090    2.9492    0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2337   -1.4526    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -2.1416   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -3.3649    1.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9713   -1.9512    2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5678   -2.7457   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597   -3.5082    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322   -1.0012    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389   -0.0078    2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4989   -0.3076    1.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7955    1.3750    2.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0171    3.0573 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 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
 14 15  1  0
 16 15  1  1
 16 22  1  0
 22 20  1  0
 20 21  2  0
 20 18  1  0
 18 19  1  0
 18 17  2  0
 16  3  1  0
 17 16  1  0
  5  4  1  0
  8 10  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  1
  4 29  1  6
 14 41  1  1
 13 39  1  0
 13 40  1  0
 12 37  1  0
 12 38  1  0
 11 35  1  0
 11 36  1  0
  5 30  1  6
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
 19 43  1  0
 19 44  1  0
 19 45  1  0
 17 42  1  0
M  END


  Mrv1652309052215132D          

 22 25  0  0  1  0            999 V2000
    2.2558   -0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9247   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410   -2.2133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4558   -2.7634    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2536   -2.5534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5179   -1.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3428   -1.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5884   -2.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3699   -2.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153   -3.0462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425   -3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148   -4.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -4.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226   -3.5181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3018   -3.4344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278   -2.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146   -3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -2.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -2.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1331   -1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184   -1.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9538   -1.8215    0.0000 O   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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 10  1  6  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
  4 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0214043

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1[C@H]2[C@@H](CCCN3[C@H]2CCC3=O)OC11OC(=O)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23NO4/c1-3-11-15-12-6-7-14(19)18(12)8-4-5-13(15)21-17(11)9-10(2)16(20)22-17/h9,11-13,15H,3-8H2,1-2H3/t11-,12-,13+,15+,17?/m0/s1

> <INCHI_KEY>
DVRWOSGUHQABHJ-TXPDGUKFSA-N

> <FORMULA>
C17H23NO4

> <MOLECULAR_WEIGHT>
305.374

> <EXACT_MASS>
305.162708225

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.99384592441729

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'S,2'R,3'S,6'R)-3'-ethyl-4-methyl-5H-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0^{2,6}]tridecane]-5,11'-dione

> <JCHEM_LOGP>
2.204190214333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7317177311973947

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
80.2382

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'S,2'R,3'S,6'R)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0^{2,6}]tridecane]-5,11'-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       4.211  -1.698   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.460  -2.599   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.303  -4.131   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.451  -5.158   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.940  -4.766   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.433  -3.307   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.973  -3.326   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.432  -4.796   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      11.891  -5.289   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       9.175  -5.686   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       9.226  -7.225   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.054  -8.225   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.542  -7.932   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.829  -6.567   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.297  -6.411   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.972  -4.906   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.641  -5.680   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.493  -4.653   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.012  -4.978   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.115  -3.244   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.341  -1.913   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.647  -3.400   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   16                                                  
CONECT    4    3    5   14                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    4   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15    3   17   22                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   16                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₃NO₄

Average Mass

305.3740 Da

Monoisotopic Mass

305.16271 Da

IUPAC Name

(1'S,2'R,3'S,6'R)-3'-ethyl-4-methyl-5H-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0^{2,6}]tridecane]-5,11'-dione

Traditional Name

(1'S,2'R,3'S,6'R)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0^{2,6}]tridecane]-5,11'-dione

CAS Registry Number

Not Available

SMILES

CC[C@H]1[C@H]2[C@@H](CCCN3[C@H]2CCC3=O)OC11OC(=O)C(C)=C1

InChI Identifier

InChI=1S/C17H23NO4/c1-3-11-15-12-6-7-14(19)18(12)8-4-5-13(15)21-17(11)9-10(2)16(20)22-17/h9,11-13,15H,3-8H2,1-2H3/t11-,12-,13+,15+,17?/m0/s1

InChI Key

DVRWOSGUHQABHJ-TXPDGUKFSA-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
Stemona sessilifolia	LOTUS Database	35616633
Stemona tuberosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stemoamide-type alkaloids. These are alkaloids which include a tricyclic 2H-furo[3,2-c]pyrrolo[1,2-a]azepine nucleus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Stemona alkaloids

Sub Class

Stemoamide-type alkaloids

Direct Parent

Stemoamide-type alkaloids

Alternative Parents

Substituents

Stemoamide backbone
Azepane
Ketal
2-furanone
Pyrrolidone
2-pyrrolidone
N-alkylpyrrolidine
Dihydrofuran
Oxolane
Pyrrolidine
Tertiary carboxylic acid amide
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxamide group
Carboxylic acid ester
Lactone
Lactam
Azacycle
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Monocarboxylic acid or derivatives
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Organic oxide
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	2.2	ChemAxon
pKa (Strongest Basic)	-0.73	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.84 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	80.24 m³·mol⁻¹	ChemAxon
Polarizability	32.99 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	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

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

101670405

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lin LG, Li KM, Tang CP, Ke CQ, Rudd JA, Lin G, Ye Y: Antitussive stemoninine alkaloids from the roots of Stemona tuberosa. J Nat Prod. 2008 Jun;71(6):1107-10. doi: 10.1021/np070651+. Epub 2008 May 2. [PubMed:18452334 ]
LOTUS database [Link]

Showing NP-Card for (1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione (NP0214043)

MOL for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

3D MOL for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

3D SDF for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

3D-SDF for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

PDB for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

3D PDB for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

SMILES for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

INCHI for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

Structure for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)

3D Structure for NP0214043 ((1's,2'r,3's,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione)