NP-MRD: Showing NP-Card for (1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one (NP0224547)

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Record Information

Version

2.0

Created at

2022-09-06 02:56:11 UTC

Updated at

2022-09-06 02:56:11 UTC

NP-MRD ID

NP0224547

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one

Description

Plagiospirolide B belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one is found in Plagiochila rutilans. Based on a literature review very few articles have been published on Plagiospirolide B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062204562D          

 37 43  0  0  1  0            999 V2000
    7.0485    4.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1848    2.7479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309062204562D          

 37 43  0  0  1  0            999 V2000
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    3.7748    1.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7260    2.8905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9988    3.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4610    4.2947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3828    3.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153    2.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4152    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3774    3.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2927    4.8852    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8427    5.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    5.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707    4.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978    4.0219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6802    3.9115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1104    4.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912    4.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    5.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325    3.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588    2.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554    3.2784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0295    2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    3.0055    0.0000 C   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
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 14  1  6  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0224547

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H]1CC[C@]2(C)CC3=C([C@@H]4C[C@@]3(C)[C@@]3(C4)[C@H]4CC5=C(C)CCC[C@]5(C)C[C@H]4OC3=O)[C@@H](C)CC[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C35H52O2/c1-20(2)24-12-14-33(6)18-28-30(22(4)10-11-25(24)33)23-16-34(28,7)35(17-23)27-15-26-21(3)9-8-13-32(26,5)19-29(27)37-31(35)36/h20,22-25,27,29H,8-19H2,1-7H3/t22-,23+,24+,25-,27-,29+,32+,33+,34+,35-/m0/s1

> <INCHI_KEY>
XXOLNYQYZWRKOW-OTZUKPKFSA-N

> <FORMULA>
C35H52O2

> <MOLECULAR_WEIGHT>
504.799

> <EXACT_MASS>
504.396730914

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
61.457412531976885

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'R,3R,3aR,4'R,7'R,8'S,8aR,9aR,11'S,13'R)-1',4',5,8a,11'-pentamethyl-7'-(propan-2-yl)-3a,4,6,7,8,8a,9,9a-octahydro-2H-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0^{2,12}.0^{4,8}]hexadecan]-2'(12')-en-2-one

> <JCHEM_LOGP>
8.106417935000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.134254472928674

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
151.77109999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,3R,3aR,4'R,7'R,8'S,8aR,9aR,11'S,13'R)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3aH-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0^{2,12}.0^{4,8}]hexadecan]-2'(12')-en-2-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      13.157   9.196   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.751   7.775   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.818   6.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.290   6.746   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.357   5.521   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.951   4.101   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.478   3.905   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.412   5.129   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.006   3.709   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.939   4.933   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.873   6.158   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.279   7.579   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.783   3.097   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       8.467   3.897   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.046   3.303   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.822   5.396   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.331   6.849   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.327   8.017   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.181   6.436   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.309   5.110   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.375   3.885   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.305   6.278   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.814   7.731   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.146   9.119   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.173  10.267   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.693   9.628   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.305   8.961   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.796   7.507   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.270   7.301   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.206   8.415   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.290   8.051   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.639   9.893   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.994   5.786   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.350   5.056   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.463   6.120   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.788   4.614   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.917   5.610   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   16                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9   10                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    2                                                       
CONECT   13    6   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    5   17   20                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   16   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23   37                                                  
CONECT   23   22   18   24                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30   33                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   29   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   28   36   37                                             
CONECT   36   35                                                            
CONECT   37   35   22                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₅₂O₂

Average Mass

504.7990 Da

Monoisotopic Mass

504.39673 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)[C@H]1CC[C@]2(C)CC3=C([C@@H]4C[C@@]3(C)[C@@]3(C4)[C@H]4CC5=C(C)CCC[C@]5(C)C[C@H]4OC3=O)[C@@H](C)CC[C@@H]12

InChI Identifier

InChI=1S/C35H52O2/c1-20(2)24-12-14-33(6)18-28-30(22(4)10-11-25(24)33)23-16-34(28,7)35(17-23)27-15-26-21(3)9-8-13-32(26,5)19-29(27)37-31(35)36/h20,22-25,27,29H,8-19H2,1-7H3/t22-,23+,24+,25-,27-,29+,32+,33+,34+,35-/m0/s1

InChI Key

XXOLNYQYZWRKOW-OTZUKPKFSA-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
Plagiochila rutilans	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Naphthofuran
Gamma butyrolactone
Tetrahydrofuran
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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	8.11	ChemAxon
pKa (Strongest Basic)	-7.1	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Rotatable Bond Count	1	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

101609669

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one (NP0224547)

MOL for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

3D MOL for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

3D SDF for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

3D-SDF for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

PDB for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

3D PDB for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

SMILES for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

INCHI for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

Structure for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)

3D Structure for NP0224547 ((1'r,3r,3ar,4'r,7'r,8's,8ar,9ar,11's,13'r)-7'-isopropyl-1',4',5,8a,11'-pentamethyl-4,6,7,8,9,9a-hexahydro-3ah-spiro[naphtho[2,3-b]furan-3,15'-tetracyclo[11.2.1.0²,¹².0⁴,⁸]hexadecan]-2'(12')-en-2-one)