NP-MRD: Showing NP-Card for 2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate (NP0219211)

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Record Information

Version

1.0

Created at

2022-09-05 20:07:54 UTC

Updated at

2022-09-05 20:07:54 UTC

NP-MRD ID

NP0219211

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate

Description

2'',5'',5'',8''A-tetramethyl-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. 2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate is found in Vitex rotundifolia. 2'',5'',5'',8''A-tetramethyl-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004161503442D          

 26 29  0  0  0  0            999 V2000
    5.1591    1.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5652    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9713    1.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8245    2.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0480    3.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2650    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4047    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0900    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7822   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8589    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436   -0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115   -0.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503    0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    0.5453    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 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
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 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  2  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 18 26  1  0  0  0  0
M  END


  Mrv1533004161503442D          

 26 29  0  0  0  0            999 V2000
    5.1591    1.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5652    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9713    1.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8245    2.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0480    3.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2650    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4047    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0900    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7822   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8589    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436   -0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115   -0.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503    0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    0.5453    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 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
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 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  2  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0219211

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(OC(C)=O)C2C(C)(C)CCCC2(C)C11CCC2(COC=C2)O1

> <INCHI_IDENTIFIER>
InChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3

> <INCHI_KEY>
FWXSOZHEZZNUHJ-UHFFFAOYSA-N

> <FORMULA>
C22H34O4

> <MOLECULAR_WEIGHT>
362.51

> <EXACT_MASS>
362.245709575

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
40.88762870672092

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetate

> <ALOGPS_LOGP>
4.28

> <JCHEM_LOGP>
3.858865584999998

> <ALOGPS_LOGS>
-6.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.137672008531781

> <JCHEM_POLAR_SURFACE_AREA>
44.760000000000005

> <JCHEM_REFRACTIVITY>
99.99709999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.12e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       9.630   2.688   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.080   2.167   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.255   3.162   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.704   2.642   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      14.880   3.637   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      14.606   5.152   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.156   5.673   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.781   6.148   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.979   1.127   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.428   0.606   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.689   2.124   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.968   0.613   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.702  -0.909   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.527  -1.904   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.077  -1.384   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.803   0.131   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.993  -1.178   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.354   0.652   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.468  -0.884   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.043  -1.467   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.048  -0.292   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.237  -1.601   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.741  -1.235   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.627   0.300   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.053   0.884   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.858   1.018   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    4   10   16                                                  
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15    9   17   18                                             
CONECT   17   16                                                            
CONECT   18   16    2   19   26                                             
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   25   26                                             
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   21                                                       
CONECT   26   21   18                                                       
MASTER        0    0    0    0    0    0    0    0   26    0   58    0
END

View in JSmol

Synonyms

Value	Source
2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetic acid	Generator

Chemical Formula

C₂₂H₃₄O₄

Average Mass

362.5100 Da

Monoisotopic Mass

362.24571 Da

IUPAC Name

2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetate

Traditional Name

2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalene]-4''-yl acetate

CAS Registry Number

Not Available

SMILES

CC1CC(OC(C)=O)C2C(C)(C)CCCC2(C)C11CCC2(COC=C2)O1

InChI Identifier

InChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3

InChI Key

FWXSOZHEZZNUHJ-UHFFFAOYSA-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
Vitex rotundifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Grindelane diterpenoid
Dihydrofuran
Tetrahydrofuran
Carboxylic acid ester
Carboxylic acid derivative
Dialkyl ether
Oxacycle
Ether
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organooxygen 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	4.28	ALOGPS
logP	3.86	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	44.76 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	100 m³·mol⁻¹	ChemAxon
Polarizability	40.89 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

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate (NP0219211)

MOL for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

3D MOL for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

3D SDF for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

3D-SDF for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

PDB for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

3D PDB for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

SMILES for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

INCHI for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

Structure for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)

3D Structure for NP0219211 (2'',5'',5'',8''a-tetramethyl-3'',4'',4''a,6'',7'',8''-hexahydro-2h,2''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-4''-yl acetate)