NP-MRD: Showing NP-Card for (4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate (NP0323819)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-12 03:29:40 UTC

Updated at

2022-09-12 03:29:40 UTC

NP-MRD ID

NP0323819

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate

Description

(1R,2S,4S,10R,11S,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]Henicosa-5(9),6-dien-4-yl acetate belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate is found in Cacospongia scalaris. Based on a literature review very few articles have been published on (1R,2S,4S,10R,11S,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]Henicosa-5(9),6-dien-4-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122205292D          

 34 38  0  0  1  0            999 V2000
    4.0576    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    3.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3058    3.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840    2.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    1.7785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0358    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.0830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0141    0.3623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4157   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9924   -1.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706   -2.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -1.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.3874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5394    0.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9410   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129    1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    1.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5611    1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876    1.0955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2109    1.8036    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
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  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
 10 14  2  0  0  0  0
  5 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 15 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  7 33  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  6  0  0  0
M  END


  Mrv1652309122205292D          

 34 38  0  0  1  0            999 V2000
    4.0576    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    3.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3058    3.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840    2.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    1.7785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0358    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.0830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0141    0.3623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4157   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9924   -1.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706   -2.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -1.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.3874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5394    0.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9410   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129    1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    1.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5611    1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876    1.0955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2109    1.8036    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
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  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
 10 14  2  0  0  0  0
  5 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 15 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  7 33  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0323819

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]2(C)C2=C1C=CO2

> <INCHI_IDENTIFIER>
InChI=1S/C29H42O5/c1-17(30)33-20-15-23-28(6)13-9-21-26(3,4)11-8-12-27(21,5)22(28)16-24(34-18(2)31)29(23,7)25-19(20)10-14-32-25/h10,14,20-24H,8-9,11-13,15-16H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+/m0/s1

> <INCHI_KEY>
FXLCXBOEPZYBNJ-HQJDUYTCSA-N

> <FORMULA>
C29H42O5

> <MOLECULAR_WEIGHT>
470.65

> <EXACT_MASS>
470.303224452

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
53.65545776286214

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,4S,10R,11S,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosa-5(9),6-dien-4-yl acetate

> <JCHEM_LOGP>
5.391931788999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.923915552271461

> <JCHEM_POLAR_SURFACE_AREA>
65.74000000000001

> <JCHEM_REFRACTIVITY>
129.2051

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,4S,10R,11S,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosa-5(9),6-dien-4-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       7.574   6.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.114   5.987   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.904   7.309   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       9.864   4.642   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.073   3.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.534   3.343   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.743   2.022   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.493   0.676   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.243  -0.669   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.033   0.653   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.046  -0.507   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.462   0.098   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.324   1.632   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.823   1.975   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.703  -0.645   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.452  -1.991   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.662  -3.313   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.412  -4.658   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.122  -3.289   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.163  -0.622   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.413   0.723   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.874   0.747   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.623  -0.599   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.083  -0.575   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.543  -0.552   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.206   0.793   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.584   2.115   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.855   2.664   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.875   3.628   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.124   2.092   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.914   3.414   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.454   3.390   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.204   2.045   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.994   3.367   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   33                                                  
CONECT    8    7    9   10   15                                             
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10    5                                                  
CONECT   15    8   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   15   21                                                       
CONECT   21   20   22   33                                                  
CONECT   22   21   23   24   30                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27   22   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32    7   21   34                                             
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,4S,10R,11S,13R,14S,19S)-11-(Acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0,.0,.0,]henicosa-5(9),6-dien-4-yl acetic acid	Generator

Chemical Formula

C₂₉H₄₂O₅

Average Mass

470.6500 Da

Monoisotopic Mass

470.30322 Da

IUPAC Name

(1R,2S,4S,10R,11S,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosa-5(9),6-dien-4-yl acetate

Traditional Name

(1R,2S,4S,10R,11S,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosa-5(9),6-dien-4-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]2(C)C2=C1C=CO2

InChI Identifier

InChI=1S/C29H42O5/c1-17(30)33-20-15-23-28(6)13-9-21-26(3,4)11-8-12-27(21,5)22(28)16-24(34-18(2)31)29(23,7)25-19(20)10-14-32-25/h10,14,20-24H,8-9,11-13,15-16H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+/m0/s1

InChI Key

FXLCXBOEPZYBNJ-HQJDUYTCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cacospongia scalaris	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four 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

Naphthofurans

Sub Class

Not Available

Direct Parent

Naphthofurans

Alternative Parents

Substituents

Naphthofuran
Benzofuran
Dicarboxylic acid or derivatives
Heteroaromatic compound
Furan
Carboxylic acid ester
Oxacycle
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	5.39	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	65.74 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	129.21 m³·mol⁻¹	ChemAxon
Polarizability	53.66 Å³	ChemAxon
Number of Rings	5	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

10256182

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15276311

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate (NP0323819)

MOL for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

3D MOL for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

3D SDF for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

3D-SDF for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

PDB for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

3D PDB for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

SMILES for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

INCHI for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

Structure for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)

3D Structure for NP0323819 ((4s,5as,5br,7as,11as,11br,13s,13ar)-13-(acetyloxy)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate)