NP-MRD: Showing NP-Card for 2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate (NP0218026)

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Record Information

Version

2.0

Created at

2022-09-05 18:33:09 UTC

Updated at

2022-09-05 18:33:09 UTC

NP-MRD ID

NP0218026

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate

Description

Teugracilin E belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Based on a literature review very few articles have been published on Teugracilin E.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052220332D          

 42 45  0  0  1  0            999 V2000
    5.6333    2.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0073    1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6099    2.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3296   -0.8481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6116   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2931   -2.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9145   -4.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 41 42  1  0  0  0  0
 40 42  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052220332D          

 42 45  0  0  1  0            999 V2000
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    3.9457    3.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275    2.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9681   -0.4142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4481    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166    1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    2.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214    1.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5236   -1.0242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2731   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671   -1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -1.3764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1765   -1.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7271   -2.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9133   -3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181   -2.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622   -0.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3761   -0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861    0.2157    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
  6  5  1  1  0  0  0
  6  7  1  6  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  1  0  0  0  0
 10 12  2  0  0  0  0
  8 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  2  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 26 32  1  0  0  0  0
  6 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 35 40  1  0  0  0  0
 26 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0218026

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]22CO2)[C@@]1(COC(C)=O)CC(OC(C)=O)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O12/c1-17-11-27(42-22(6)35)29(15-38-19(3)32)25(7-8-26(41-21(5)34)30(29)16-39-30)28(17,14-37-18(2)31)12-24(40-20(4)33)23-9-10-36-13-23/h9-10,13,17,24-27H,7-8,11-12,14-16H2,1-6H3/t17-,24?,25-,26+,27+,28-,29+,30-/m1/s1

> <INCHI_KEY>
JBHVBDJOSXIXLV-ACVNANFXSA-N

> <FORMULA>
C30H40O12

> <MOLECULAR_WEIGHT>
592.638

> <EXACT_MASS>
592.251976728

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
60.41654174585422

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1R,2S,4aR,5R,6R,8S,8aR)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-5-yl]-1-(furan-3-yl)ethyl acetate

> <JCHEM_LOGP>
1.2762990699999985

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8690039693323417

> <JCHEM_POLAR_SURFACE_AREA>
157.17000000000004

> <JCHEM_REFRACTIVITY>
141.8475

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1R,2S,4aR,5R,6R,8S,8aR)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2H-spiro[naphthalene-1,2'-oxirane]-5-yl]-1-(furan-3-yl)ethyl acetate

> <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      10.515   4.272   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.214   2.799   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      12.339   3.976   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      10.661   1.139   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.612  -0.388   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.082  -1.583   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.608  -3.238   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.880  -4.341   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.300  -5.955   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      11.351  -7.238   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.071  -8.812   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.907  -7.555   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.810  -3.014   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.908  -1.477   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.400  -1.096   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.224  -2.397   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.241  -3.583   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.550  -0.116   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.097   1.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.513   1.023   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.008   0.694   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.222   2.557   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.579   4.273   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.365   5.699   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.651   5.599   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.541  -0.773   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.570   0.753   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.723   1.394   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.711   2.783   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.956   4.362   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.227   3.441   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.577  -1.912   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.110  -3.379   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.605  -3.708   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.568  -2.569   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.196  -3.544   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.357  -4.961   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.705  -6.518   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.220  -5.226   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.036  -1.102   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.569  -0.634   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       3.707   0.403   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                                                       
CONECT    6    5    7   18   32                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    8   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   13                                                       
CONECT   18    6   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   21   27   32   40                                             
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26    6   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   35   26   41   42                                             
CONECT   41   40   42                                                       
CONECT   42   41   40                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₀O₁₂

Average Mass

592.6380 Da

Monoisotopic Mass

592.25198 Da

IUPAC Name

2-[(1R,2S,4aR,5R,6R,8S,8aR)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-5-yl]-1-(furan-3-yl)ethyl acetate

Traditional Name

2-[(1R,2S,4aR,5R,6R,8S,8aR)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2H-spiro[naphthalene-1,2'-oxirane]-5-yl]-1-(furan-3-yl)ethyl acetate

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]22CO2)[C@@]1(COC(C)=O)CC(OC(C)=O)C1=COC=C1

InChI Identifier

InChI=1S/C30H40O12/c1-17-11-27(42-22(6)35)29(15-38-19(3)32)25(7-8-26(41-21(5)34)30(29)16-39-30)28(17,14-37-18(2)31)12-24(40-20(4)33)23-9-10-36-13-23/h9-10,13,17,24-27H,7-8,11-12,14-16H2,1-6H3/t17-,24?,25-,26+,27+,28-,29+,30-/m1/s1

InChI Key

JBHVBDJOSXIXLV-ACVNANFXSA-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 pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Pentacarboxylic acids and derivatives

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Substituents

Pentacarboxylic acid or derivatives
Heteroaromatic compound
Furan
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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	1.28	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	157.17 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	141.85 m³·mol⁻¹	ChemAxon
Polarizability	60.42 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

101634639

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate (NP0218026)

MOL for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

3D MOL for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

3D SDF for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

3D-SDF for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

PDB for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

3D PDB for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

SMILES for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

INCHI for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

Structure for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)

3D Structure for NP0218026 (2-[(1r,2s,4ar,5r,6r,8s,8ar)-2,8-bis(acetyloxy)-5,8a-bis[(acetyloxy)methyl]-6-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(furan-3-yl)ethyl acetate)