NP-MRD: Showing NP-Card for 1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate (NP0321336)

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Record Information

Version

2.0

Created at

2022-09-11 23:29:31 UTC

Updated at

2022-09-11 23:29:31 UTC

NP-MRD ID

NP0321336

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

1,3-Bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-10-yl 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. 1,3-Bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-10-yl 3-phenylprop-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161520082D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004161520082D          

 41 44  0  0  0  0            999 V2000
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   -0.2860    1.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428    0.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3607    1.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028    3.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2548    2.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423   -1.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884   -1.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613   -2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6189   -2.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -3.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301   -4.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634   -4.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031   -4.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -5.2802    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  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
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0321336

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(OC(=O)C=CC2=CC=CC=C2)C23C(OC(C)=O)OC(OC(C)=O)C2=CC(O)CC3C1(C)CC=C(C)C=C

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

> <INCHI_KEY>
YPXOUSATDOVBBH-UHFFFAOYSA-N

> <FORMULA>
C33H40O8

> <MOLECULAR_WEIGHT>
564.675

> <EXACT_MASS>
564.272318248

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
60.461210443269074

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
4.76

> <JCHEM_LOGP>
5.404392726666664

> <ALOGPS_LOGS>
-5.70

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.845246652949715

> <JCHEM_PKA_STRONGEST_BASIC>
-2.866489113999794

> <JCHEM_POLAR_SURFACE_AREA>
108.36

> <JCHEM_REFRACTIVITY>
154.3965

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.14e-03 g/l

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

> <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      -0.048  -3.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.450  -2.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.461  -0.794   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.378  -0.143   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.972   1.763   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.680   2.974   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.118   2.673   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.182   4.545   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.727   6.065   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.784   7.185   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.343   8.661   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.400   9.781   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.898   9.425   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.339   7.950   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.282   6.830   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.128  -0.812   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.991   0.226   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.100   0.482   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.210   1.700   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.779   1.081   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.534   3.551   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.627   1.629   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.157   1.457   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.273   2.670   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.580   4.265   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       5.792   5.639   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.942   5.066   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.467  -0.051   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.795  -0.831   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.785  -2.370   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.292  -2.889   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.446  -3.131   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.117  -2.352   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.778  -3.113   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.795  -4.388   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.022  -4.838   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.940  -6.491   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.163  -7.592   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.718  -7.710   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.299  -9.202   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.693  -9.856   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   16                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    4   17   28   33                                             
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   17   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   16   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   16   34                                                  
CONECT   34   33    2   35   36                                             
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

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

Chemical Formula

C₃₃H₄₀O₈

Average Mass

564.6750 Da

Monoisotopic Mass

564.27232 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

CC1CC(OC(=O)C=CC2=CC=CC=C2)C23C(OC(C)=O)OC(OC(C)=O)C2=CC(O)CC3C1(C)CC=C(C)C=C

InChI Identifier

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

InChI Key

YPXOUSATDOVBBH-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

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
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
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	4.76	ALOGPS
logP	5.4	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	14.85	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	108.36 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	154.4 m³·mol⁻¹	ChemAxon
Polarizability	60.46 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

72732497

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate (NP0321336)

MOL for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

3D MOL for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

3D SDF for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

3D-SDF for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

PDB for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

3D PDB for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

SMILES for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

INCHI for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

Structure for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)

3D Structure for NP0321336 (1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-phenylprop-2-enoate)