NP-MRD: Showing NP-Card for Fusidilactone C (NP0084009)

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Record Information

Version

2.0

Created at

2022-04-29 04:52:43 UTC

Updated at

2022-04-29 04:52:43 UTC

NP-MRD ID

NP0084009

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Fusidilactone C

Description

Fusidilactone C is found in Fusidium sp.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292206522D          

 33 38  0  0  1  0            999 V2000
    4.6566   -0.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832   -0.0522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8328   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336    0.6390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2538    1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235    0.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602    1.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    0.7279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2192    0.3620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7716   -0.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7529   -0.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -0.6630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3918   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104    0.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0804   -0.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -1.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812   -0.6305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6426   -1.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -2.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425   -2.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -1.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4594   -0.0077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8933    1.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540    0.8092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0465    1.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5568    1.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6830    1.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698    1.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
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 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  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  6  0  0  0
 15 20  1  0  0  0  0
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 12 31  1  0  0  0  0
 31 32  1  0  0  0  0
 17 32  1  0  0  0  0
 31 33  1  1  0  0  0
M  END

     RDKit          3D

 61 66  0  0  0  0  0  0  0  0999 V2000
    4.3767    2.4939    1.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5240    1.3258    1.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6299    0.8907    0.7031 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5861    0.4727   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -0.2393    1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990   -0.5549    2.2789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9205   -1.0280    0.2146 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4284   -2.2890    0.9393 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4521   -2.7419    1.7769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -2.0714    1.7079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900   -1.6668    0.9714 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8790   -1.5430    1.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4838   -0.3316    0.3817 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4298    0.7576    1.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699    1.8587    1.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    2.0626   -0.3546 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0836    2.3509   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0938    3.8428   -1.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169    4.0061   -1.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668    3.2163   -0.6136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598    0.9063   -1.1223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8350    0.8565   -2.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2335   -0.4266   -0.4742 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6333   -1.4347   -1.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -2.7683   -1.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1297   -3.3142   -0.1200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6517   -4.4038    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516   -5.4481    1.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844   -3.9887    0.5852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082   -2.7141   -0.0559 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4384   -2.5538   -0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4551    3.1927    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4113    2.1791    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9057    3.0503    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1634    0.4923    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0228   -0.0512   -1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005   -0.1605   -0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5725   -1.4699   -0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243   -3.0874    2.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2264   -2.4624    1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 11  1  0
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 10  8  1  0
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 30 31  1  6
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 26 25  1  0
 30 25  1  0
 21 23  1  0
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  2 35  1  0
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  1 32  1  0
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  1 34  1  0
M  END


  Mrv1652304292206522D          

 33 38  0  0  1  0            999 V2000
    4.6566   -0.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832   -0.0522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8328   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336    0.6390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2538    1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235    0.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602    1.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    0.7279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 16 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
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 31 32  1  0  0  0  0
 17 32  1  0  0  0  0
 31 33  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0084009

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12C[C@]34[C@H](CO[C@]5(CCCO5)[C@]3([H])O)[C@]3(O)O[C@@](O)(C1C(=O)O[C@]23C)[C@@H]4C(=O)C(C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C22H30O9/c1-4-10(2)14(23)15-19-8-11-13-16(24)30-18(11,3)22(27,31-21(13,15)26)12(19)9-29-20(17(19)25)6-5-7-28-20/h10-13,15,17,25-27H,4-9H2,1-3H3/t10?,11-,12-,13?,15+,17+,18+,19+,20+,21-,22-/m0/s1

> <INCHI_KEY>
XVPDRAKPYXYSTB-LEPCQNAQSA-N

> <FORMULA>
C22H30O9

> <MOLECULAR_WEIGHT>
438.473

> <EXACT_MASS>
438.188982546

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
43.40637803816958

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'R,2R,2'R,6'R,7'S,9'R,13'R,14'S,16'S)-2',7',9'-trihydroxy-13'-methyl-16'-(2-methylbutanoyl)-4',8',12'-trioxaspiro[oxolane-2,3'-pentacyclo[7.6.1.0^{1,6}.0^{7,13}.0^{10,14}]hexadecane]-11'-one

> <ALOGPS_LOGP>
0.40

> <JCHEM_LOGP>
1.2702823096666664

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.223776738932724

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.374759908317452

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7483355653757338

> <JCHEM_POLAR_SURFACE_AREA>
131.75

> <JCHEM_REFRACTIVITY>
102.5583

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.19e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2R,2'R,6'R,7'S,9'R,13'R,14'S,16'S)-2',7',9'-trihydroxy-13'-methyl-16'-(2-methylbutanoyl)-4',8',12'-trioxaspiro[oxolane-2,3'-pentacyclo[7.6.1.0^{1,6}.0^{7,13}.0^{10,14}]hexadecane]-11'-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  O   UNK     0       8.692  -1.471   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       7.995  -0.097   0.000  0.00  0.00           C+0
HETATM    3  H   UNK     0       7.155  -1.388   0.000  0.00  0.00           H+0
HETATM    4  C   UNK     0       8.836   1.193   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.807   2.388   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      11.244   1.834   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.161   0.296   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.673  -0.100   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.139   2.566   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.601   2.649   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.761   1.359   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.143   0.676   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.174  -0.468   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       3.272  -0.907   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.276  -1.238   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.598  -0.159   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.139   0.335   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.150  -0.506   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.869  -2.723   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.938  -1.177   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.800  -2.454   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.125  -3.838   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.588  -3.946   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.914  -5.330   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.986  -5.114   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.336  -2.346   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.458  -0.014   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.401   2.257   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.648   1.510   0.000  0.00  0.00           C+0
HETATM   30  H   UNK     0       3.820   3.041   0.000  0.00  0.00           H+0
HETATM   31  C   UNK     0       2.906   2.048   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.275   1.876   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.304   3.536   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   27                                             
CONECT    3    2                                                            
CONECT    4    2    5    8    9                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4                                                       
CONECT    9    4   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   27                                                  
CONECT   12   11   13   14   31                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   19   20                                             
CONECT   16   15   17   29                                                  
CONECT   17   16   18   32                                                  
CONECT   18   17                                                            
CONECT   19   15                                                            
CONECT   20   15   21   27                                                  
CONECT   21   20   22   26                                                  
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22                                                            
CONECT   26   21                                                            
CONECT   27   20   11    2   28                                             
CONECT   28   27   29                                                       
CONECT   29   28   16   30   31                                             
CONECT   30   29                                                            
CONECT   31   29   12   32   33                                             
CONECT   32   31   17                                                       
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₃₀O₉

Average Mass

438.4730 Da

Monoisotopic Mass

438.18898 Da

IUPAC Name

(1'R,2R,2'R,6'R,7'S,9'R,13'R,14'S,16'S)-2',7',9'-trihydroxy-13'-methyl-16'-(2-methylbutanoyl)-4',8',12'-trioxaspiro[oxolane-2,3'-pentacyclo[7.6.1.0^{1,6}.0^{7,13}.0^{10,14}]hexadecane]-11'-one

Traditional Name

(1'R,2R,2'R,6'R,7'S,9'R,13'R,14'S,16'S)-2',7',9'-trihydroxy-13'-methyl-16'-(2-methylbutanoyl)-4',8',12'-trioxaspiro[oxolane-2,3'-pentacyclo[7.6.1.0^{1,6}.0^{7,13}.0^{10,14}]hexadecane]-11'-one

CAS Registry Number

Not Available

SMILES

[H][C@]12C[C@]34[C@H](CO[C@]5(CCCO5)[C@]3([H])O)[C@]3(O)O[C@@](O)(C1C(=O)O[C@]23C)[C@@H]4C(=O)C(C)CC

InChI Identifier

InChI=1S/C22H30O9/c1-4-10(2)14(23)15-19-8-11-13-16(24)30-18(11,3)22(27,31-21(13,15)26)12(19)9-29-20(17(19)25)6-5-7-28-20/h10-13,15,17,25-27H,4-9H2,1-3H3/t10?,11-,12-,13?,15+,17+,18+,19+,20+,21-,22-/m0/s1

InChI Key

XVPDRAKPYXYSTB-LEPCQNAQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Fusidium sp.	-	KNApSAcK

Chemical Taxonomy

Classification

Not classified

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	0.4	ALOGPS
logP	1.27	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	10.37	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	131.75 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	102.56 m³·mol⁻¹	ChemAxon
Polarizability	43.41 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Not Available

Showing NP-Card for Fusidilactone C (NP0084009)

MOL for NP0084009 (Fusidilactone C)

3D MOL for NP0084009 (Fusidilactone C)

3D SDF for NP0084009 (Fusidilactone C)

3D-SDF for NP0084009 (Fusidilactone C)

PDB for NP0084009 (Fusidilactone C)

3D PDB for NP0084009 (Fusidilactone C)

SMILES for NP0084009 (Fusidilactone C)

INCHI for NP0084009 (Fusidilactone C)

Structure for NP0084009 (Fusidilactone C)

3D Structure for NP0084009 (Fusidilactone C)