NP-MRD: Showing NP-Card for (2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate (NP0306641)

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Record Information

Version

2.0

Created at

2022-09-10 23:14:47 UTC

Updated at

2022-09-10 23:14:48 UTC

NP-MRD ID

NP0306641

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate

Description

(2E)-2-{2-[(1S,2R,4aR,5R,6R,7R,8aR)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-decahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate 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. (2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate is found in Baccharis boliviensis. Based on a literature review very few articles have been published on (2E)-2-{2-[(1S,2R,4aR,5R,6R,7R,8aR)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-decahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112201142D          

 34 35  0  0  1  0            999 V2000
   -1.0946    0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    2.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5303    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    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
    2.8579   -1.6500    0.0000 O   0  0  0  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
    1.8163   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788   -3.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033   -3.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -3.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855    0.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    1.6094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337    2.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    3.0167    0.0000 O   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
  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
 10  9  1  6  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  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  1  0  0  0
 16 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END


  Mrv1652309112201142D          

 34 35  0  0  1  0            999 V2000
   -1.0946    0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    2.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5303    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    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
    2.8579   -1.6500    0.0000 O   0  0  0  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
    1.8163   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788   -3.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033   -3.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -3.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855    0.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    1.6094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337    2.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    3.0167    0.0000 O   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
  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
 10  9  1  6  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  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  1  0  0  0
 16 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0306641

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H](O)[C@]2(C)OC(C)=O)[C@@]1(C)CC\C(COC(C)=O)=C/COC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H42O8/c1-16-8-12-25(6)22(14-21(30)23(31)26(25,7)34-19(4)29)24(16,5)11-9-20(15-33-18(3)28)10-13-32-17(2)27/h10,16,21-23,30-31H,8-9,11-15H2,1-7H3/b20-10+/t16-,21-,22-,23-,24+,25-,26+/m1/s1

> <INCHI_KEY>
KWPQTKJGULBOOD-SZHMKOLHSA-N

> <FORMULA>
C26H42O8

> <MOLECULAR_WEIGHT>
482.614

> <EXACT_MASS>
482.287968312

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
52.891085249455564

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-2-{2-[(1S,2R,4aR,5R,6R,7R,8aR)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-decahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate

> <JCHEM_LOGP>
2.1625006226666676

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.978046683879562

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.000678961963814

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1902193936329164

> <JCHEM_POLAR_SURFACE_AREA>
119.36000000000001

> <JCHEM_REFRACTIVITY>
125.83359999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-2-{2-[(1S,2R,4aR,5R,6R,7R,8aR)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2H-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.043   1.715   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.053   2.894   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.580   4.341   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       0.463   2.627   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.453   3.807   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.970   3.539   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.496   2.092   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.506   0.912   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.990   1.180   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.990   1.180   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.390  -4.440   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       1.944  -4.440   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.760  -5.746   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.300  -5.692   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.037  -7.105   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.013   1.825   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.003   3.004   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.476   4.451   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.960   4.719   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.466   5.631   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   30                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   18                                             
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   24                                             
CONECT   17   16                                                            
CONECT   18   16   10   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   16   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    7   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   70    0
END

View in JSmol

Synonyms

Value	Source
(2E)-2-{2-[(1S,2R,4ar,5R,6R,7R,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-decahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetic acid	Generator

Chemical Formula

C₂₆H₄₂O₈

Average Mass

482.6140 Da

Monoisotopic Mass

482.28797 Da

IUPAC Name

(2E)-2-{2-[(1S,2R,4aR,5R,6R,7R,8aR)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-decahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate

Traditional Name

(2E)-2-{2-[(1S,2R,4aR,5R,6R,7R,8aR)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2H-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H](O)[C@]2(C)OC(C)=O)[C@@]1(C)CC\C(COC(C)=O)=C/COC(C)=O

InChI Identifier

InChI=1S/C26H42O8/c1-16-8-12-25(6)22(14-21(30)23(31)26(25,7)34-19(4)29)24(16,5)11-9-20(15-33-18(3)28)10-13-32-17(2)27/h10,16,21-23,30-31H,8-9,11-15H2,1-7H3/b20-10+/t16-,21-,22-,23-,24+,25-,26+/m1/s1

InChI Key

KWPQTKJGULBOOD-SZHMKOLHSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Baccharis boliviensis	LOTUS Database	35616633

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
Tricarboxylic acid or derivatives
Cyclitol or derivatives
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
1,2-diol
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	2.16	ChemAxon
pKa (Strongest Acidic)	13	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119.36 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	125.83 m³·mol⁻¹	ChemAxon
Polarizability	52.89 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

162923222

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate (NP0306641)

MOL for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

3D MOL for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

3D SDF for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

3D-SDF for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

PDB for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

3D PDB for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

SMILES for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

INCHI for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

Structure for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)

3D Structure for NP0306641 ((2e)-2-{2-[(1s,2r,4ar,5r,6r,7r,8ar)-5-(acetyloxy)-6,7-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate)