NP-MRD: Showing NP-Card for [(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate (NP0225362)

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Record Information

Version

2.0

Created at

2022-09-06 04:03:58 UTC

Updated at

2022-09-06 04:03:58 UTC

NP-MRD ID

NP0225362

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate

Description

[(4AS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicen-4a-yl]methyl acetate belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. [(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate is found in Calophyllum inophyllum. Based on a literature review very few articles have been published on [(4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicen-4a-yl]methyl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062206032D          

 35 39  0  0  1  0            999 V2000
   -1.3480   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -7.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -5.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3020   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -3.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3645   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4270   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2520   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4895   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6645   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7770   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1895   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -5.9664    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
  6  5  1  6  0  0  0
  6  7  1  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
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 12  1  1  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  6  0  0  0
 18 31  1  0  0  0  0
 31 32  1  0  0  0  0
 14 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  6 35  1  0  0  0  0
M  END


  Mrv1652309062206032D          

 35 39  0  0  1  0            999 V2000
   -1.3480   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -7.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -5.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3020   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -3.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3645   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4270   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2520   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4895   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6645   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7770   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1895   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -5.9664    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
  6  5  1  6  0  0  0
  6  7  1  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
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 12  1  1  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  6  0  0  0
 18 31  1  0  0  0  0
 31 32  1  0  0  0  0
 14 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  6 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225362

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C32H52O3/c1-21-23(34)9-10-24-28(21,5)12-11-25-29(24,6)14-15-31(8)26-19-27(3,4)13-17-32(26,20-35-22(2)33)18-16-30(25,31)7/h21,24-26H,9-20H2,1-8H3/t21-,24+,25-,26-,28+,29-,30+,31-,32+/m0/s1

> <INCHI_KEY>
MNPTWWJVMQXAOZ-FLGQONBWSA-N

> <FORMULA>
C32H52O3

> <MOLECULAR_WEIGHT>
484.765

> <EXACT_MASS>
484.391645534

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
58.89872330422901

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicen-4a-yl]methyl acetate

> <JCHEM_LOGP>
7.276635092999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.855501203802284

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
141.13529999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1H-picen-4a-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.516 -12.471   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.976 -12.471   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.206 -13.805   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -0.206 -11.137   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334 -11.137   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.104  -9.804   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.564  -9.804   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.206  -8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.564  -7.136   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.883  -6.610   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.831  -5.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.104  -7.136   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.874  -8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.414  -8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.644  -7.136   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.184  -7.136   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.724  -7.136   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.494  -8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.264  -7.136   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.034  -8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.804  -7.136   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.344  -7.136   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.114  -8.470   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      13.654  -8.470   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      11.344  -9.804   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.114 -11.137   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.804  -9.804   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.574 -11.137   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.034 -11.137   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.494 -11.137   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.724  -9.804   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.184  -9.804   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.954 -11.137   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.414 -11.137   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.874 -11.137   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   13   35                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9   13                                                       
CONECT   13   12    6   14                                                  
CONECT   14   13   15   16   32                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   31                                             
CONECT   19   18                                                            
CONECT   20   18   21   27                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   20   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   18   32                                                  
CONECT   32   31   14   33   34                                             
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34    6                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Value	Source
[(4AS,6ar,6BS,8as,9R,12as,12BS,14as,14BS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicen-4a-yl]methyl acetic acid	Generator

Chemical Formula

C₃₂H₅₂O₃

Average Mass

484.7650 Da

Monoisotopic Mass

484.39165 Da

IUPAC Name

[(4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicen-4a-yl]methyl acetate

Traditional Name

[(4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1H-picen-4a-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(COC(C)=O)CC[C@]12C

InChI Identifier

InChI=1S/C32H52O3/c1-21-23(34)9-10-24-28(21,5)12-11-25-29(24,6)14-15-31(8)26-19-27(3,4)13-17-32(26,20-35-22(2)33)18-16-30(25,31)7/h21,24-26H,9-20H2,1-8H3/t21-,24+,25-,26-,28+,29-,30+,31-,32+/m0/s1

InChI Key

MNPTWWJVMQXAOZ-FLGQONBWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Calophyllum inophyllum	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
Cyclic ketone
Ketone
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	7.28	ChemAxon
pKa (Strongest Basic)	-6.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	43.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	141.14 m³·mol⁻¹	ChemAxon
Polarizability	58.9 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

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

162891719

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate (NP0225362)

MOL for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

3D MOL for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

3D SDF for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

3D-SDF for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

PDB for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

3D PDB for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

SMILES for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

INCHI for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

Structure for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)

3D Structure for NP0225362 ([(4as,6ar,6bs,8as,9r,12as,12bs,14as,14bs)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-tetradecahydro-1h-picen-4a-yl]methyl acetate)