NP-MRD: Showing NP-Card for (6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid (NP0220377)

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Record Information

Version

2.0

Created at

2022-09-05 21:40:23 UTC

Updated at

2022-09-05 21:40:23 UTC

NP-MRD ID

NP0220377

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid

Description

[2,3-Bis(hexadecanoyloxy)propoxy][(6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphinic acid belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Based on a literature review very few articles have been published on [2,3-bis(hexadecanoyloxy)propoxy][(6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphinic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052223402D          

 82 86  0  0  0  0            999 V2000
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M  END


  Mrv1652309052223402D          

 82 86  0  0  0  0            999 V2000
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   -5.7158  -25.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -25.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -25.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -24.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -23.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -22.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -21.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -21.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -20.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -20.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -19.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -18.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -17.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -16.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 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
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 44 45  1  0  0  0  0
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 51 52  1  0  0  0  0
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 55 56  1  0  0  0  0
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 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220377

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C68H123O13P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-37-61(69)76-48-55(79-62(70)38-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-77-82(74,75)78-50-60-63(71)64(72)65(73)66(81-60)80-54-43-45-67(6)53(47-54)39-40-56-58-42-41-57(52(5)36-34-35-51(3)4)68(58,7)46-44-59(56)67/h39,51-52,54-60,63-66,71-73H,8-38,40-50H2,1-7H3,(H,74,75)

> <INCHI_KEY>
NXMCVIAGVDODGT-UHFFFAOYSA-N

> <FORMULA>
C68H123O13P

> <MOLECULAR_WEIGHT>
1179.693

> <EXACT_MASS>
1178.870131019

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
205

> <JCHEM_AVERAGE_POLARIZABILITY>
144.81825612388138

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[2,3-bis(hexadecanoyloxy)propoxy][(6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphinic acid

> <JCHEM_LOGP>
18.118118927000005

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.212386176817317

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8905451881286162

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6493657624489835

> <JCHEM_POLAR_SURFACE_AREA>
187.51

> <JCHEM_REFRACTIVITY>
327.8226

> <JCHEM_ROTATABLE_BOND_COUNT>
46

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2,3-bis(hexadecanoyloxy)propoxy((6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0     -24.006 -29.260   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -24.006 -30.800   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -22.673 -31.570   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -22.673 -33.110   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -21.339 -33.880   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -21.339 -35.420   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -20.005 -36.190   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -20.005 -37.730   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -18.672 -38.500   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -18.672 -40.040   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -17.338 -40.810   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -17.338 -42.350   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -16.004 -43.120   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -16.004 -44.660   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -14.670 -45.430   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -14.670 -46.970   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -16.004 -47.740   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0     -13.337 -47.740   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0     -13.337 -49.280   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.003 -50.050   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -12.003 -51.590   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -10.669 -52.360   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0     -10.669 -53.900   0.000  0.00  0.00           P+0
HETATM   24  O   UNK     0     -12.209 -53.900   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -9.129 -53.900   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0     -10.669 -55.440   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -9.336 -56.210   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.336 -57.750   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -8.002 -58.520   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -8.002 -60.060   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -6.668 -60.830   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -6.668 -62.370   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.335 -63.140   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.335 -64.680   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.668 -65.450   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.335 -66.220   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.002 -64.680   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -9.336 -65.450   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -9.336 -66.990   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -8.002 -67.760   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.668 -66.990   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.335 -67.760   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -5.335 -69.300   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -6.668 -70.070   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -5.423 -70.975   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -6.989 -71.576   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -5.958 -72.721   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -6.434 -74.185   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -4.452 -72.401   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -3.421 -73.545   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -1.915 -73.225   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -0.885 -74.369   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.622 -74.049   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -1.360 -75.834   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -8.520 -71.737   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -9.147 -70.330   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -8.002 -69.300   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -8.002 -63.140   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -9.336 -60.830   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      -9.336 -62.370   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0     -10.669 -60.060   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0     -12.003 -60.830   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0     -10.669 -58.520   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0     -12.003 -57.750   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0     -10.669 -49.280   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0     -10.669 -47.740   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0     -12.003 -46.970   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      -9.336 -46.970   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      -9.336 -45.430   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      -8.002 -44.660   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      -8.002 -43.120   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      -6.668 -42.350   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      -6.668 -40.810   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      -5.335 -40.040   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      -5.335 -38.500   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      -4.001 -37.730   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      -4.001 -36.190   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      -2.667 -35.420   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      -2.667 -33.880   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      -1.334 -33.110   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      -1.334 -31.570   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      -0.000 -30.800   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   65                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   63                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   59                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   58                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37   41                                             
CONECT   36   35                                                            
CONECT   37   35   38   58                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   57                                                  
CONECT   41   40   35   42                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46   57                                             
CONECT   45   44                                                            
CONECT   46   44   47   55                                                  
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52                                                            
CONECT   55   46   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   40   44                                                  
CONECT   58   37   32                                                       
CONECT   59   30   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61   28   64                                                  
CONECT   64   63                                                            
CONECT   65   20   66                                                       
CONECT   66   65   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69                                                       
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73                                                       
CONECT   73   72   74                                                       
CONECT   74   73   75                                                       
CONECT   75   74   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   78                                                       
CONECT   78   77   79                                                       
CONECT   79   78   80                                                       
CONECT   80   79   81                                                       
CONECT   81   80   82                                                       
CONECT   82   81                                                            
MASTER        0    0    0    0    0    0    0    0   82    0  172    0
END

View in JSmol

Synonyms

Value	Source
[2,3-Bis(hexadecanoyloxy)propoxy][(6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphinate	Generator

Chemical Formula

C₆₈H₁₂₃O₁₃P

Average Mass

1179.6930 Da

Monoisotopic Mass

1178.87013 Da

IUPAC Name

[2,3-bis(hexadecanoyloxy)propoxy][(6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphinic acid

Traditional Name

2,3-bis(hexadecanoyloxy)propoxy((6-{[2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC

InChI Identifier

InChI=1S/C68H123O13P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-37-61(69)76-48-55(79-62(70)38-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-77-82(74,75)78-50-60-63(71)64(72)65(73)66(81-60)80-54-43-45-67(6)53(47-54)39-40-56-58-42-41-57(52(5)36-34-35-51(3)4)68(58,7)46-44-59(56)67/h39,51-52,54-60,63-66,71-73H,8-38,40-50H2,1-7H3,(H,74,75)

InChI Key

NXMCVIAGVDODGT-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal glycosides

Alternative Parents

Substituents

Diterpene glycoside
Cholesterol
Cholestane-skeleton
Steroidal glycoside
Diterpenoid
Terpene glycoside
Delta-5-steroid
Hexose phosphate
O-glycosyl compound
Glycosyl compound
Glycerophospholipid
Monosaccharide phosphate
Dialkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Oxane
Organic phosphoric acid derivative
Monosaccharide
Dicarboxylic acid or derivatives
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	18.12	ChemAxon
pKa (Strongest Acidic)	1.89	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	187.51 Å²	ChemAxon
Rotatable Bond Count	46	ChemAxon
Refractivity	327.82 m³·mol⁻¹	ChemAxon
Polarizability	144.82 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

162913089

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid (NP0220377)

MOL for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

3D MOL for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

3D SDF for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

3D-SDF for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

PDB for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

3D PDB for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

SMILES for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

INCHI for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

Structure for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)

3D Structure for NP0220377 ((6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy(2,3-bis(hexadecanoyloxy)propoxy)phosphinic acid)