NP-MRD: Showing NP-Card for 6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate (NP0320749)

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Record Information

Version

2.0

Created at

2022-09-11 22:34:58 UTC

Updated at

2022-09-11 22:34:58 UTC

NP-MRD ID

NP0320749

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate

Description

6-(Furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]Icos-9-en-19-yl 2,3-dimethylbut-2-enoate belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate is found in Azadirachta indica. 6-(Furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]Icos-9-en-19-yl 2,3-dimethylbut-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161520132D          

 40 45  0  0  0  0            999 V2000
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 16 39  1  0  0  0  0
  2 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004161520132D          

 40 45  0  0  0  0            999 V2000
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    3.5811    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    1.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761   -0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565   -0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4663   -1.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9859   -0.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810   -1.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8007   -1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3204   -0.4709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0253    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450    0.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2106    0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6909   -0.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958   -1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8925   -2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1646   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459   -2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751   -0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0626   -3.5272    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  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  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 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  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 19 31  1  0  0  0  0
 24 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 32 36  2  0  0  0  0
 21 37  1  0  0  0  0
  8 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 12 39  1  0  0  0  0
 16 39  1  0  0  0  0
  2 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0320749

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=C(C)C(=O)OC1CC(O)C2(C)COC3C2C1(C)C1CCC2(C)C(OC(=O)C=C2C1(C)C3O)C1=CC=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C32H42O8/c1-16(2)17(3)28(36)39-22-14-21(33)30(5)15-38-24-25(30)32(22,7)19-10-11-29(4)20(31(19,6)26(24)35)13-23(34)40-27(29)18-9-8-12-37-18/h8-9,12-13,19,21-22,24-27,33,35H,10-11,14-15H2,1-7H3

> <INCHI_KEY>
FNAUTOTYIGROSL-UHFFFAOYSA-N

> <FORMULA>
C32H42O8

> <MOLECULAR_WEIGHT>
554.68

> <EXACT_MASS>
554.287968312

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
59.297527357646274

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate

> <ALOGPS_LOGP>
4.40

> <JCHEM_LOGP>
3.8426235346666635

> <ALOGPS_LOGS>
-4.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.596795983017195

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.620857063667955

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9072201552862054

> <JCHEM_POLAR_SURFACE_AREA>
115.43000000000002

> <JCHEM_REFRACTIVITY>
146.35930000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.68e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-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       1.560  -8.658   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.320  -7.137   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.518  -6.169   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.955  -6.722   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.278  -4.648   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.841  -4.095   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       3.476  -3.679   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.236  -2.158   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.799  -1.605   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.559  -0.084   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.122   0.469   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.756   0.884   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.385   1.585   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.838   2.422   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.326   2.820   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.164   1.527   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.685   1.285   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.655   2.481   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.235  -0.153   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.206   1.043   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.265  -1.349   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.816  -2.787   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.337  -3.029   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.307  -1.833   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.858  -3.271   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.828  -2.075   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      11.798  -0.879   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      11.247   0.559   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      12.217   1.755   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.726   0.801   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.756  -0.395   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.379  -3.513   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      12.866  -3.913   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      12.945  -5.451   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      11.507  -6.002   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.539  -4.804   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.433  -1.190   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.884  -2.663   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.194   0.331   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.117  -6.584   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   37                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   39                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   39                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21   31                                             
CONECT   20   19                                                            
CONECT   21   19   22   37                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26   31                                             
CONECT   25   24                                                            
CONECT   26   24   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   19   24                                                  
CONECT   32   26   33   36                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   32                                                       
CONECT   37   21    8   38   39                                             
CONECT   38   37                                                            
CONECT   39   37   12   16                                                  
CONECT   40    2                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   90    0
END

View in JSmol

Synonyms

Value	Source
6-(Furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0,.0,.0,]icos-9-en-19-yl 2,3-dimethylbut-2-enoic acid	Generator
6-(Furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoic acid	Generator

Chemical Formula

C₃₂H₄₂O₈

Average Mass

554.6800 Da

Monoisotopic Mass

554.28797 Da

IUPAC Name

6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate

Traditional Name

6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC(C)=C(C)C(=O)OC1CC(O)C2(C)COC3C2C1(C)C1CCC2(C)C(OC(=O)C=C2C1(C)C3O)C1=CC=CO1

InChI Identifier

InChI=1S/C32H42O8/c1-16(2)17(3)28(36)39-22-14-21(33)30(5)15-38-24-25(30)32(22,7)19-10-11-29(4)20(31(19,6)26(24)35)13-23(34)40-27(29)18-9-8-12-37-18/h8-9,12-13,19,21-22,24-27,33,35H,10-11,14-15H2,1-7H3

InChI Key

FNAUTOTYIGROSL-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
Azadirachta indica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthofuran
Naphthalene
Dihydropyranone
Fatty acid ester
Dicarboxylic acid or derivatives
Pyran
Fatty acyl
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Heteroaromatic compound
Cyclic alcohol
Furan
Secondary alcohol
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Dialkyl ether
Ether
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Carbonyl group
Organic oxide
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	4.4	ALOGPS
logP	3.84	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	13.62	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	115.43 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	146.36 m³·mol⁻¹	ChemAxon
Polarizability	59.3 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate (NP0320749)

MOL for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

3D MOL for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

3D SDF for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

3D-SDF for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

PDB for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

3D PDB for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

SMILES for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

INCHI for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

Structure for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)

3D Structure for NP0320749 (6-(furan-2-yl)-12,17-dihydroxy-1,5,11,16-tetramethyl-8-oxo-7,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2,3-dimethylbut-2-enoate)