NP-MRD: Showing NP-Card for 5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate (NP0217698)

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Record Information

Version

2.0

Created at

2022-09-05 18:07:38 UTC

Updated at

2022-09-05 18:07:38 UTC

NP-MRD ID

NP0217698

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate

Description

5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]Dodecane]-11'-yl 2-methylpropanoate belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. 5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate is found in Scutellaria albida. Based on a literature review very few articles have been published on 5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]Dodecane]-11'-yl 2-methylpropanoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052220072D          

 34 39  0  0  0  0            999 V2000
    1.7601   -2.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -2.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168    0.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2914    0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    0.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328    2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944    1.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866    2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    2.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    2.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    1.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0277    1.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    2.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757    2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6336    2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    0.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    0.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432    1.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2222    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303   -0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8179   -0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209    2.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  5 26  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 27 34  1  0  0  0  0
 21 34  1  0  0  0  0
M  END


  Mrv1652309052220072D          

 34 39  0  0  0  0            999 V2000
    1.7601   -2.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -2.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168    0.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2914    0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    0.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328    2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944    1.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866    2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    2.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    2.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    1.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0277    1.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    2.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757    2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6336    2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    0.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    0.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432    1.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2222    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303   -0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8179   -0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209    2.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  5 26  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 27 34  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217698

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=O)OC1OC2CC3C(C)(C4CC5C=COC5O4)C(C)CC(OC(C)=O)C13C1(CO1)C2

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O8/c1-13(2)21(28)34-23-26-18(10-17(32-23)11-25(26)12-30-25)24(5,14(3)8-20(26)31-15(4)27)19-9-16-6-7-29-22(16)33-19/h6-7,13-14,16-20,22-23H,8-12H2,1-5H3

> <INCHI_KEY>
YLVIOFHEIFHWJO-UHFFFAOYSA-N

> <FORMULA>
C26H36O8

> <MOLECULAR_WEIGHT>
476.566

> <EXACT_MASS>
476.241018119

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
49.16941502458236

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0^{1,6}]dodecane]-11'-yl 2-methylpropanoate

> <JCHEM_LOGP>
2.853601770666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7833094274620875

> <JCHEM_POLAR_SURFACE_AREA>
92.82000000000001

> <JCHEM_REFRACTIVITY>
118.68449999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0^{1,6}]dodecane]-11'-yl 2-methylpropanoate

> <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       3.286  -4.327   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.241  -3.103   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.949  -4.105   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       2.602  -1.426   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.931   0.395   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.405   0.137   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.544   1.405   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.825   0.289   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.190   2.813   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.248   4.445   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.296   3.218   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.842   4.658   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.380   4.584   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.668   5.429   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.869   4.465   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.323   3.025   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.785   3.099   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.497   2.254   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.578   2.951   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.195   4.741   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.875   5.244   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.916   3.853   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.570   2.165   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.077   1.845   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.047   0.701   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.842   1.721   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.711   2.839   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.321   3.424   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.912   1.640   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.415   1.626   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.935   0.114   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.537  -0.345   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.527  -0.953   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.212   4.095   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   26                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   19                                             
CONECT   10    9                                                            
CONECT   11    9   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   13   18                                                  
CONECT   18   17   11                                                       
CONECT   19    9   20   26                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   34                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23   25                                                       
CONECT   25   24   23                                                       
CONECT   26   23    5   19   27                                             
CONECT   27   26   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   27   21                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   78    0
END

View in JSmol

Synonyms

Value	Source
5'-{2h,3H,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0,]dodecane]-11'-yl 2-methylpropanoic acid	Generator

Chemical Formula

C₂₆H₃₆O₈

Average Mass

476.5660 Da

Monoisotopic Mass

476.24102 Da

IUPAC Name

5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0^{1,6}]dodecane]-11'-yl 2-methylpropanoate

Traditional Name

5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0^{1,6}]dodecane]-11'-yl 2-methylpropanoate

CAS Registry Number

Not Available

SMILES

CC(C)C(=O)OC1OC2CC3C(C)(C4CC5C=COC5O4)C(C)CC(OC(C)=O)C13C1(CO1)C2

InChI Identifier

InChI=1S/C26H36O8/c1-13(2)21(28)34-23-26-18(10-17(32-23)11-25(26)12-30-25)24(5,14(3)8-20(26)31-15(4)27)19-9-16-6-7-29-22(16)33-19/h6-7,13-14,16-20,22-23H,8-12H2,1-5H3

InChI Key

YLVIOFHEIFHWJO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Scutellaria albida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furofurans

Sub Class

Not Available

Direct Parent

Furofurans

Alternative Parents

Substituents

Furofuran
Dicarboxylic acid or derivatives
Oxane
Dihydrofuran
Tetrahydrofuran
Carboxylic acid ester
Ether
Oxirane
Dialkyl ether
Acetal
Carboxylic acid derivative
Oxacycle
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
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	2.85	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	92.82 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	118.68 m³·mol⁻¹	ChemAxon
Polarizability	49.17 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

75069272

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate (NP0217698)

MOL for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

3D MOL for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

3D SDF for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

3D-SDF for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

PDB for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

3D PDB for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

SMILES for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

INCHI for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

Structure for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)

3D Structure for NP0217698 (5'-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl 2-methylpropanoate)