NP-MRD: Showing NP-Card for 1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate (NP0216958)

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Record Information

Version

2.0

Created at

2022-09-05 17:07:49 UTC

Updated at

2022-09-05 17:07:49 UTC

NP-MRD ID

NP0216958

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate

Description

14-Hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[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. 1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate is found in Santolina oblongifolia. 14-Hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-5-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004181501142D          

 35 38  0  0  0  0            999 V2000
    1.6005   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439   -6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2229   -6.6533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4024   -8.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   -8.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6719   -8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857   -9.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6719   -7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864   -7.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009   -7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009   -8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -8.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2443   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2443   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587  -10.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6732   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6732   -8.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3877  -10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298  -10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0601  -10.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995  -10.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009  -10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8344   -9.5125    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 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
 18 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
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 19 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 34  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv1533004181501142D          

 35 38  0  0  0  0            999 V2000
    1.6005   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439   -6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   -7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2229   -6.6533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4024   -8.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   -8.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6719   -8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857   -9.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6719   -7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864   -7.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009   -7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009   -8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -8.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2443   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2443   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587  -10.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6732   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6732   -8.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3877  -10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298  -10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0601  -10.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995  -10.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009  -10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8344   -9.5125    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 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
 18 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
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 19 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 34  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0216958

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)CCCC(=C)C1(O)CCC2(C)C1CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C

> <INCHI_IDENTIFIER>
InChI=1S/C32H52O3/c1-21(2)11-10-12-22(3)32(34)20-19-31(9)26(32)14-13-25-29(7)17-16-27(35-23(4)33)28(5,6)24(29)15-18-30(25,31)8/h24-27,34H,1,3,10-20H2,2,4-9H3

> <INCHI_KEY>
POOYEBUPLHDWHD-UHFFFAOYSA-N

> <FORMULA>
C32H52O3

> <MOLECULAR_WEIGHT>
484.765

> <EXACT_MASS>
484.391645534

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
59.759585273823724

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl acetate

> <ALOGPS_LOGP>
7.02

> <JCHEM_LOGP>
7.225977061666668

> <ALOGPS_LOGS>
-6.78

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.3358323048493884

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
143.2689

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.07e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
14-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0       2.988 -13.826   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.321 -13.056   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.321 -11.516   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.655 -13.826   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.989 -13.056   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.322 -13.826   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.656 -13.056   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.656 -11.516   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.990 -13.826   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.616 -12.419   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.084 -15.072   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.990 -16.318   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.454 -15.842   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.293 -17.374   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.454 -14.302   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.788 -13.532   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.122 -14.302   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.122 -15.842   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.455 -16.612   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      16.455 -15.072   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.789 -15.842   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.123 -16.612   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.123 -18.152   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      20.456 -18.922   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      21.790 -18.152   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      21.790 -16.612   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      23.124 -18.922   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      17.789 -18.922   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.779 -20.102   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.799 -20.102   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.455 -18.152   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.122 -18.922   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.788 -18.152   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.788 -16.612   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.757 -17.757   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                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   15                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   34                                             
CONECT   14   13                                                            
CONECT   15   13    9   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   34                                                  
CONECT   19   18   20   21   31                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   19   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   13   18   35                                             
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Value	Source
14-Hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0,.0,]heptadecan-5-yl acetic acid	Generator
14-Hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl acetic acid	Generator

Chemical Formula

C₃₂H₅₂O₃

Average Mass

484.7650 Da

Monoisotopic Mass

484.39165 Da

IUPAC Name

14-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl acetate

Traditional Name

14-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,6-dien-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=C)CCCC(=C)C1(O)CCC2(C)C1CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C

InChI Identifier

InChI=1S/C32H52O3/c1-21(2)11-10-12-22(3)32(34)20-19-31(9)26(32)14-13-25-29(7)17-16-27(35-23(4)33)28(5,6)24(29)15-18-30(25,31)8/h24-27,34H,1,3,10-20H2,2,4-9H3

InChI Key

POOYEBUPLHDWHD-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Santolina oblongifolia	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
Hydroxysteroid
17-hydroxysteroid
Steroid
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
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	7.02	ALOGPS
logP	7.23	ChemAxon
logS	-6.8	ALOGPS
pKa (Strongest Basic)	-0.34	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	143.27 m³·mol⁻¹	ChemAxon
Polarizability	59.76 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	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

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 1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate (NP0216958)

MOL for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

3D MOL for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

3D SDF for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

3D-SDF for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

PDB for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

3D PDB for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

SMILES for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

INCHI for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

Structure for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)

3D Structure for NP0216958 (1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,6-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl acetate)