NP-MRD: Showing NP-Card for 6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one (NP0286151)

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Record Information

Version

2.0

Created at

2022-09-09 14:36:20 UTC

Updated at

2022-09-09 14:36:20 UTC

NP-MRD ID

NP0286151

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one

Description

6,6,19-Trimethyl-18-(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]Tricosa-1,14,16(23)-trien-10-one belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one is found in Schisandra rubriflora. 6,6,19-Trimethyl-18-(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]Tricosa-1,14,16(23)-trien-10-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004201505372D          

 34 40  0  0  0  0            999 V2000
    3.3119   -0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7401   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7611    0.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8473   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3921    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2161    0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6989   -0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5232   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4028    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3223   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105   -1.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639   -1.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9418   -2.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1176   -2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6609   -3.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9362   -1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919   -1.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3609   -1.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4131   -1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854   -1.9525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850   -1.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -1.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438   -2.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316   -2.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -2.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259   -2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405   -0.7393    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
  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 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  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 20  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 31 33  1  0  0  0  0
 24 34  2  0  0  0  0
  3 34  1  0  0  0  0
  6 34  1  0  0  0  0
M  END


  Mrv1533004201505372D          

 34 40  0  0  0  0            999 V2000
    3.3119   -0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7401   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7611    0.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8473   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3921    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2161    0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6989   -0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5232   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4028    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3223   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105   -1.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639   -1.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9418   -2.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1176   -2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6609   -3.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9362   -1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919   -1.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3609   -1.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4131   -1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854   -1.9525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850   -1.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -1.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438   -2.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316   -2.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -2.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259   -2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405   -0.7393    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
  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 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  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 20  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 31 33  1  0  0  0  0
 24 34  2  0  0  0  0
  3 34  1  0  0  0  0
  6 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286151

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2CCC3=C4CCC5C(C)(C)OC6CC(=O)OC56CC4=CC(OC1C1OC(=O)C(C)=C1)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3

> <INCHI_KEY>
QFKYMFWLPPOWOB-UHFFFAOYSA-N

> <FORMULA>
C28H32O6

> <MOLECULAR_WEIGHT>
464.558

> <EXACT_MASS>
464.21988875

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
49.501585624377164

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,6,19-trimethyl-18-(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1,14,16(23)-trien-10-one

> <ALOGPS_LOGP>
4.55

> <JCHEM_LOGP>
4.893605892666667

> <ALOGPS_LOGS>
-5.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.299804154608871

> <JCHEM_PKA_STRONGEST_BASIC>
-4.123349857533605

> <JCHEM_POLAR_SURFACE_AREA>
71.06

> <JCHEM_REFRACTIVITY>
124.41189999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.14e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,6,19-trimethyl-18-(4-methyl-5-oxo-2H-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1,14,16(23)-trien-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0       6.182  -0.478   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.490  -1.292   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.848  -0.566   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.218   0.929   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.754   1.039   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.333  -0.388   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.782  -0.912   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.798   0.244   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.337   0.170   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.238  -1.079   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.777  -1.014   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.552   0.509   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.268  -0.632   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      18.313  -2.458   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      17.106  -3.414   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.691  -4.897   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.153  -4.962   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      14.300  -6.244   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      14.814  -3.609   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      15.823  -2.562   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.405  -3.162   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.052  -2.428   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.874  -3.420   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.105  -2.919   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.746  -3.645   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.439  -2.831   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.080  -3.556   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.869  -5.082   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.352  -5.352   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       3.680  -6.737   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.627  -3.993   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.695  -2.884   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.102  -3.782   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.156  -1.380   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   26                                                  
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   34                                                  
CONECT    7    6    8   22                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   20                                                  
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   10   15   21                                             
CONECT   21   20   22                                                       
CONECT   22   21    7   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   34                                                  
CONECT   25   24   26                                                       
CONECT   26   25    2   27                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31   27                                                       
CONECT   33   31                                                            
CONECT   34   24    3    6                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₂O₆

Average Mass

464.5580 Da

Monoisotopic Mass

464.21989 Da

IUPAC Name

6,6,19-trimethyl-18-(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1,14,16(23)-trien-10-one

Traditional Name

6,6,19-trimethyl-18-(4-methyl-5-oxo-2H-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1,14,16(23)-trien-10-one

CAS Registry Number

Not Available

SMILES

CC1C2CCC3=C4CCC5C(C)(C)OC6CC(=O)OC56CC4=CC(OC1C1OC(=O)C(C)=C1)=C23

InChI Identifier

InChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3

InChI Key

QFKYMFWLPPOWOB-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Schisandra rubriflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

1-benzopyrans

Alternative Parents

Substituents

1-benzopyran
Indane
Furofuran
Alkyl aryl ether
2-furanone
Dicarboxylic acid or derivatives
Benzenoid
Gamma butyrolactone
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Oxolane
Carboxylic acid ester
Lactone
Oxacycle
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Carbonyl group
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	4.55	ALOGPS
logP	4.89	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	12.3	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	71.06 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	124.41 m³·mol⁻¹	ChemAxon
Polarizability	49.5 Å³	ChemAxon
Number of Rings	7	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

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

73070186

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one (NP0286151)

MOL for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

3D MOL for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

3D SDF for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

3D-SDF for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

PDB for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

3D PDB for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

SMILES for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

INCHI for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

Structure for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)

3D Structure for NP0286151 (6,6,19-trimethyl-18-(4-methyl-5-oxo-2h-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.0²,¹⁴.0⁵,¹².0⁸,¹².0²⁰,²³]tricosa-1(23),2(14),15-trien-10-one)