NP-MRD: Showing NP-Card for 5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate (NP0218610)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 19:19:37 UTC

Updated at

2022-09-05 19:19:38 UTC

NP-MRD ID

NP0218610

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

Description

{4A-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-5-yl}methyl acetate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. 5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate is found in Teucrium capitatum. {4A-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-5-yl}methyl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241512192D          

 34 37  0  0  0  0            999 V2000
   -1.7863   -1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946   -1.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816   -2.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3948   -1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972   -2.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819   -0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -1.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760   -1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -1.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889   -2.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -0.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518   -0.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -0.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    0.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7608   -1.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0186    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549    0.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441    0.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010   -0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1481   -0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0461    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2360    0.8495    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 30 34  1  0  0  0  0
M  END


  Mrv1533004241512192D          

 34 37  0  0  0  0            999 V2000
   -1.7863   -1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946   -1.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816   -2.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3948   -1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972   -2.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819   -0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -1.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760   -1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -1.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889   -2.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -0.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518   -0.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -0.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    0.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7608   -1.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0186    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549    0.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441    0.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010   -0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1481   -0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0461    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2360    0.8495    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0218610

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C(=O)C(O)C2(COC(C)=O)C(CCCC2(O)COC(C)=O)C11CC(OC1=O)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O10/c1-13-19(27)20(28)24(12-33-15(3)26)18(5-4-7-22(24,30)11-32-14(2)25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-18,20,28,30H,4-5,7,9,11-12H2,1-3H3

> <INCHI_KEY>
GEYMFARLADSUPR-UHFFFAOYSA-N

> <FORMULA>
C24H30O10

> <MOLECULAR_WEIGHT>
478.494

> <EXACT_MASS>
478.183897166

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
47.89726823777776

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-4a-yl}methyl acetate

> <ALOGPS_LOGP>
1.06

> <JCHEM_LOGP>
0.5954598169999997

> <ALOGPS_LOGS>
-3.04

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.601803812482974

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.663140923351897

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8885479729341825

> <JCHEM_POLAR_SURFACE_AREA>
149.57

> <JCHEM_REFRACTIVITY>
113.48189999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.41e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolane]-4a-ylmethyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -3.334  -2.958   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.861  -2.510   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.736  -3.562   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.086  -5.062   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.737  -3.115   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.861  -4.167   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.086  -1.615   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.211  -2.667   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.684  -2.220   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.808  -3.272   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.282  -2.824   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.459  -4.772   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.038  -0.563   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.311   0.937   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.784   1.385   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.909   0.333   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.560  -1.167   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.017  -0.669   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.047  -1.569   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.137  -0.482   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.624  -0.883   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.715   0.204   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.020  -2.371   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.512  -1.010   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.024  -1.301   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.768   0.047   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.716   1.171   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.321   0.518   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.269   1.642   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -5.296   0.237   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.349  -0.887   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -7.743  -0.234   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -7.553   1.295   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.040   1.586   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   13   17                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    7   14   24                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16    7   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   13    2   25   28                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28                                                       
CONECT   28   27   24   29                                                  
CONECT   29   28                                                            
CONECT   30   26   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   30                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Value	Source
{4a-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-5-yl}methyl acetic acid	Generator

Chemical Formula

C₂₄H₃₀O₁₀

Average Mass

478.4940 Da

Monoisotopic Mass

478.18390 Da

IUPAC Name

{5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-4a-yl}methyl acetate

Traditional Name

5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolane]-4a-ylmethyl acetate

CAS Registry Number

Not Available

SMILES

CC1C(=O)C(O)C2(COC(C)=O)C(CCCC2(O)COC(C)=O)C11CC(OC1=O)C1=COC=C1

InChI Identifier

InChI=1S/C24H30O10/c1-13-19(27)20(28)24(12-33-15(3)26)18(5-4-7-22(24,30)11-32-14(2)25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-18,20,28,30H,4-5,7,9,11-12H2,1-3H3

InChI Key

GEYMFARLADSUPR-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Teucrium capitatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Tricarboxylic acid or derivatives
Gamma butyrolactone
Cyclic alcohol
Furan
Heteroaromatic compound
Tertiary alcohol
Tetrahydrofuran
Secondary alcohol
Lactone
Ketone
Carboxylic acid ester
Cyclic ketone
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Organic oxygen compound
Carbonyl group
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
logP	1.06	ALOGPS
logP	0.6	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	12.66	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	149.57 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	113.48 m³·mol⁻¹	ChemAxon
Polarizability	47.9 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	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate (NP0218610)

MOL for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

3D MOL for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

3D SDF for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

3D-SDF for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

PDB for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

3D PDB for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

SMILES for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

INCHI for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

Structure for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)

3D Structure for NP0218610 (5-[(acetyloxy)methyl]-5'-(furan-3-yl)-4,5-dihydroxy-2-methyl-2',3-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate)