NP-MRD: Showing NP-Card for (1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate (NP0265508)

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Record Information

Version

2.0

Created at

2022-09-08 09:30:53 UTC

Updated at

2022-09-08 09:30:54 UTC

NP-MRD ID

NP0265508

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

Description

(1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-5-yl acetate belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate is found in Zea mays. Based on a literature review very few articles have been published on (1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-5-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309082211302D          

 35 38  0  0  1  0            999 V2000
   -2.0022   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -3.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -3.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098   -2.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -2.2077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1827   -1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.9173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.7721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6190   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -1.4816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3228   -0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.5084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2939   -0.8571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9830   -0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111   -0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4347   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   -1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9411    0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302    0.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -2.2576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4850   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4342   -2.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -3.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -3.3919    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END


  Mrv1652309082211302D          

 35 38  0  0  1  0            999 V2000
   -2.0022   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -3.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -3.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098   -2.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -2.2077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1827   -1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.9173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.7721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6190   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -1.4816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3228   -0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.5084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2939   -0.8571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9830   -0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111   -0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4347   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   -1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9411    0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302    0.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -2.2576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4850   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4342   -2.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -3.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -3.3919    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0265508

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(\C)=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H56O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h11,21,23,25-29H,12-20H2,1-10H3/b22-11+/t23-,25-,26+,27-,28+,29-,31-,32-,33+/m1/s1

> <INCHI_KEY>
BZJLCFCBZHWWMT-SSBNEKKNSA-N

> <FORMULA>
C33H56O2

> <MOLECULAR_WEIGHT>
484.809

> <EXACT_MASS>
484.428031043

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
61.319191485889895

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl acetate

> <JCHEM_LOGP>
8.884054333666668

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.003778164364346

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
147.66140000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl acetate

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.737  -6.112   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.221  -5.841   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.229  -7.018   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -1.698  -4.392   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.182  -4.121   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.341  -2.673   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.857  -2.402   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.850  -3.579   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.373  -2.131   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.366  -3.308   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.889  -1.859   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.405  -1.588   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.398  -2.766   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.069  -1.380   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.937  -2.816   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.882  -1.600   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.302  -0.173   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.407  -1.811   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.353  -0.595   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.878  -0.805   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.458  -2.232   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.823   0.410   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.243   1.837   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.349   0.200   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.365  -4.295   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.090  -5.159   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.874  -4.214   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.505  -5.709   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.358  -4.485   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.835  -5.934   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.319  -6.205   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.326  -5.027   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.810  -5.298   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.028  -6.823   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.332  -6.332   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   33                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   32                                             
CONECT    9    8                                                            
CONECT   10    8   11   29                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   27                                             
CONECT   14   13                                                            
CONECT   15   13   16   25                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   15   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   13   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   10   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31    8   33                                                  
CONECT   33   32    5   34   35                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-Dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0,.0,]heptadecan-5-yl acetic acid	Generator

Chemical Formula

C₃₃H₅₆O₂

Average Mass

484.8090 Da

Monoisotopic Mass

484.42803 Da

IUPAC Name

(1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl acetate

Traditional Name

(1S,2R,5R,7R,10R,11S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl acetate

CAS Registry Number

Not Available

SMILES

CC(C)C(\C)=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O

InChI Identifier

InChI=1S/C33H56O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h11,21,23,25-29H,12-20H2,1-10H3/b22-11+/t23-,25-,26+,27-,28+,29-,31-,32-,33+/m1/s1

InChI Key

BZJLCFCBZHWWMT-SSBNEKKNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Zea mays	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Steroid ester
14-alpha-methylsteroid
Steroid
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	8.88	ChemAxon
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	147.66 m³·mol⁻¹	ChemAxon
Polarizability	61.32 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

163194983

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate (NP0265508)

MOL for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

3D MOL for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

3D SDF for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

3D-SDF for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

PDB for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

3D PDB for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

SMILES for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

INCHI for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

Structure for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)

3D Structure for NP0265508 ((1r,3as,3br,5ar,7r,9ar,9bs,11ar)-1-[(2r,4e)-5,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate)