NP-MRD: Showing NP-Card for methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate (NP0301083)

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Record Information

Version

2.0

Created at

2022-09-10 13:49:49 UTC

Updated at

2022-09-10 13:49:49 UTC

NP-MRD ID

NP0301083

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate

Description

Haperforin D belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate is found in Harrisonia perforata. Based on a literature review very few articles have been published on Haperforin D.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309102215492D          

 37 42  0  0  1  0            999 V2000
    6.2114   -0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615   -1.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -2.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -2.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2351   -2.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -2.1726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1742   -2.4604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2446   -3.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159   -3.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145   -3.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688   -2.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260   -3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -1.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569   -1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5384   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490   -0.8334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7525   -0.0663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2965    0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -0.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.9169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4777   -0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135   -1.0004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9296   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960   -1.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387   -2.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3226   -2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4217   -3.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7850   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -1.7676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1025   -1.7293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3178   -1.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0848   -1.3591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3363   -2.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 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
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 25  1  1  0  0  0
 33 34  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  1  0  0  0
 23 36  1  0  0  0  0
 19 36  1  0  0  0  0
  7 36  1  0  0  0  0
 36 37  1  6  0  0  0
M  END


  Mrv1652309102215492D          

 37 42  0  0  1  0            999 V2000
    6.2114   -0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615   -1.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -2.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -2.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2351   -2.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -2.1726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1742   -2.4604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2446   -3.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159   -3.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145   -3.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688   -2.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260   -3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -1.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569   -1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5384   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490   -0.8334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7525   -0.0663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2965    0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -0.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.9169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4777   -0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135   -1.0004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9296   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960   -1.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387   -2.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3226   -2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4217   -3.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7850   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -1.7676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1025   -1.7293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3178   -1.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0848   -1.3591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3363   -2.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 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
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 25  1  1  0  0  0
 33 34  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  1  0  0  0
 23 36  1  0  0  0  0
 19 36  1  0  0  0  0
  7 36  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0301083

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@H]1O[C@]11[C@@]2(C)[C@H](CC[C@@]1(C)C(=O)C1=COC=C1)[C@@H](C)O[C@@]21O[C@H]2CC(=O)OC(C)(C)[C@H]2[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H34O10/c1-13-15-7-9-24(4,19(29)14-8-10-33-12-14)26(21(37-26)22(31)32-6)25(15,5)27(34-13)20(30)18-16(35-27)11-17(28)36-23(18,2)3/h8,10,12-13,15-16,18,20-21,30H,7,9,11H2,1-6H3/t13-,15-,16+,18-,20-,21-,24+,25-,26-,27+/m1/s1

> <INCHI_KEY>
XDGKUEYAPOSPHF-SNGZWERASA-N

> <FORMULA>
C27H34O10

> <MOLECULAR_WEIGHT>
518.559

> <EXACT_MASS>
518.215197295

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
51.754696325481135

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2R,3R,3'R,3''S,3aS,3'aS,6'R,7'R,7aS,7'aR)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-dodecahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate

> <JCHEM_LOGP>
2.5212429716666653

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.852991964797532

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9705067845400936

> <JCHEM_POLAR_SURFACE_AREA>
134.03

> <JCHEM_REFRACTIVITY>
124.16799999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2R,3R,3'R,3''S,3aS,3'aS,6'R,7'R,7aS,7'aR)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      11.595  -0.764   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.568  -2.344   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.614  -4.306   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      12.212  -5.356   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.887  -4.312   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.906  -5.499   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.368  -4.056   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.925  -4.593   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.057  -6.257   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.696  -5.816   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.947  -7.251   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.302  -5.075   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.915  -5.745   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.849  -4.633   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.577  -3.276   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.093  -3.549   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.738  -3.611   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.995  -2.093   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.438  -1.556   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.005  -0.124   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.153   1.243   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.542  -0.220   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.925  -1.712   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.225  -0.886   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      11.412  -1.868   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.935  -1.642   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.892  -2.849   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      15.486  -2.592   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      13.326  -4.281   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      11.802  -4.506   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.987  -6.402   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.799  -5.935   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.845  -3.299   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.525  -3.228   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.060  -3.294   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.625  -2.537   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.094  -4.523   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5    7                                                       
CONECT    7    6    5    8   36                                             
CONECT    8    7    9   10   17                                             
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12                                                       
CONECT   17    8   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   36                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   34   36                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   33                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32   33                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   30   25   34                                                  
CONECT   34   33   23   35                                                  
CONECT   35   34                                                            
CONECT   36   23   19    7   37                                             
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   84    0
END

View in JSmol

Synonyms

Value	Source
Haperforin-D	MeSH

Chemical Formula

C₂₇H₃₄O₁₀

Average Mass

518.5590 Da

Monoisotopic Mass

518.21520 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)[C@H]1O[C@]11[C@@]2(C)[C@H](CC[C@@]1(C)C(=O)C1=COC=C1)[C@@H](C)O[C@@]21O[C@H]2CC(=O)OC(C)(C)[C@H]2[C@H]1O

InChI Identifier

InChI=1S/C27H34O10/c1-13-15-7-9-24(4,19(29)14-8-10-33-12-14)26(21(37-26)22(31)32-6)25(15,5)27(34-13)20(30)18-16(35-27)11-17(28)36-23(18,2)3/h8,10,12-13,15-16,18,20-21,30H,7,9,11H2,1-6H3/t13-,15-,16+,18-,20-,21-,24+,25-,26-,27+/m1/s1

InChI Key

XDGKUEYAPOSPHF-SNGZWERASA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Harrisonia perforata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Aryl alkyl ketones

Alternative Parents

Substituents

Aryl alkyl ketone
Ketal
Delta valerolactone
Delta_valerolactone
Dicarboxylic acid or derivatives
Monosaccharide
Oxane
Oxirane carboxylic acid
Oxirane carboxylic acid or derivatives
Furan
Heteroaromatic compound
Methyl ester
Tetrahydrofuran
Lactone
Carboxylic acid ester
Secondary alcohol
Oxacycle
Acetal
Ether
Oxirane
Dialkyl ether
Organoheterocyclic compound
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

21182500

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139057742

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate (NP0301083)

MOL for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

3D MOL for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

3D SDF for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

3D-SDF for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

PDB for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

3D PDB for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

SMILES for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

INCHI for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

Structure for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)

3D Structure for NP0301083 (methyl (2r,3r,3'r,3''s,3as,3'as,6'r,7'r,7as,7'ar)-6'-(furan-3-carbonyl)-3-hydroxy-3',4,4,6',7'a-pentamethyl-6-oxo-octahydrodispiro[furo[3,2-c]pyran-2,1'-[2]benzofuran-7',2''-oxirane]-3''-carboxylate)