NP-MRD: Showing NP-Card for (1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate (NP0291226)

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Record Information

Version

1.0

Created at

2022-09-09 22:14:21 UTC

Updated at

2022-09-09 22:14:21 UTC

NP-MRD ID

NP0291226

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate

Description

(1R,3R,5S,6aS,7R,8R,10S,10aS)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl (2E)-3-phenylprop-2-enoate belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. Based on a literature review very few articles have been published on (1R,3R,5S,6aS,7R,8R,10S,10aS)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl (2E)-3-phenylprop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102200142D          

 41 44  0  0  1  0            999 V2000
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 39 40  1  0  0  0  0
  7 40  1  0  0  0  0
 40 41  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102200142D          

 41 44  0  0  1  0            999 V2000
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    6.5894   -2.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197   -3.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9208   -4.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -3.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1614   -2.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864   -2.4570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2181   -3.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1012   -3.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7510   -4.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -4.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -2.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5605   -1.9022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5934   -1.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866   -2.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -3.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546   -2.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1056   -2.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0331    0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 24  1  6  0  0  0
  9 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
  7 40  1  0  0  0  0
 40 41  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0291226

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@H](O)[C@@]23[C@@H](OC(C)=O)O[C@H](OC(C)=O)C2=C[C@H](C[C@H]3[C@]1(C)C\C=C(/C)C=C)OC(=O)\C=C\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C33H40O8/c1-7-20(2)15-16-32(6)21(3)17-28(36)33-26(30(38-22(4)34)41-31(33)39-23(5)35)18-25(19-27(32)33)40-29(37)14-13-24-11-9-8-10-12-24/h7-15,18,21,25,27-28,30-31,36H,1,16-17,19H2,2-6H3/b14-13+,20-15+/t21-,25-,27+,28+,30+,31+,32-,33-/m1/s1

> <INCHI_KEY>
KMQGWLRBSADAJN-MLULKGSBSA-N

> <FORMULA>
C33H40O8

> <MOLECULAR_WEIGHT>
564.675

> <EXACT_MASS>
564.272318248

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
61.94486892157694

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,5S,6aS,7R,8R,10S,10aS)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2E)-3-phenylprop-2-enoate

> <JCHEM_LOGP>
5.404392726666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.456737483294958

> <JCHEM_PKA_STRONGEST_BASIC>
-3.036423024806785

> <JCHEM_POLAR_SURFACE_AREA>
108.36

> <JCHEM_REFRACTIVITY>
154.39650000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,5S,6aS,7R,8R,10S,10aS)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2E)-3-phenylprop-2-enoate

> <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       4.852   5.890   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.454   5.244   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.315   3.711   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.573   2.823   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.917   3.065   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.770   1.456   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.571   1.330   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.036   0.060   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.465  -0.697   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      10.769   0.121   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.521  -2.236   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.883  -2.956   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.939  -4.495   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.300  -5.216   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.357  -6.755   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.052  -7.573   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.691  -6.853   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.635  -5.314   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.015  -4.586   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.007  -5.849   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.789  -7.397   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.002  -8.346   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.361  -7.974   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       3.483  -4.747   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.913  -3.551   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.108  -3.633   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -0.162  -4.645   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.068  -6.168   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.595  -4.083   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.064  -4.790   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.062   0.048   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                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   40                                             
CONECT    8    7                                                            
CONECT    9    7   10   36                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17                                                       
CONECT   23   11   24                                                       
CONECT   24   23   25   36                                                  
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   24    9   37                                             
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39    7   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
(1R,3R,5S,6AS,7R,8R,10S,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6ah,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl (2E)-3-phenylprop-2-enoic acid	Generator

Chemical Formula

C₃₃H₄₀O₈

Average Mass

564.6750 Da

Monoisotopic Mass

564.27232 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@H](O)[C@@]23[C@@H](OC(C)=O)O[C@H](OC(C)=O)C2=C[C@H](C[C@H]3[C@]1(C)C\C=C(/C)C=C)OC(=O)\C=C\C1=CC=CC=C1

InChI Identifier

InChI=1S/C33H40O8/c1-7-20(2)15-16-32(6)21(3)17-28(36)33-26(30(38-22(4)34)41-31(33)39-23(5)35)18-25(19-27(32)33)40-29(37)14-13-24-11-9-8-10-12-24/h7-15,18,21,25,27-28,30-31,36H,1,16-17,19H2,2-6H3/b14-13+,20-15+/t21-,25-,27+,28+,30+,31+,32-,33-/m1/s1

InChI Key

KMQGWLRBSADAJN-MLULKGSBSA-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 colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Substituents

Clerodane diterpenoid
Naphthofuran
Cinnamic acid or derivatives
Cinnamic acid ester
Tricarboxylic acid or derivatives
Styrene
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Cyclic alcohol
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Oxacycle
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organic oxygen compound
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

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

163186723

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate (NP0291226)

MOL for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

3D MOL for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

3D SDF for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

3D-SDF for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

PDB for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

3D PDB for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

SMILES for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

INCHI for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

Structure for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)

3D Structure for NP0291226 ((1r,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2e)-3-phenylprop-2-enoate)