NP-MRD: Showing NP-Card for Ustusolate F (NP0353415)

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Record Information

Version

2.0

Created at

2026-02-21 06:54:45 UTC

Updated at

2026-02-21 08:01:56 UTC

NP-MRD ID

NP0353415

Natural Product DOI

https://doi.org/10.57994/7898

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ustusolate F

Description

Ustusolate F was first documented in 2021 (PMID: 33346651).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03222304072D          

 31 33  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491    1.1137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5837    1.8150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1937    2.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283    3.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    3.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383    3.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7176    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    6.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622    7.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3722    8.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    8.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    8.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983    1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.3610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0047   -0.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.3867    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6853   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612    1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215    1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  3 16  1  0  0  0  0
 16 17  2  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
 20 21  2  0  0  0  0
 22 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  1  0  0  0
 24 22  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 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
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END


  Mrv2104 03222304072D          

 31 33  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491    1.1137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5837    1.8150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1937    2.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283    3.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    3.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383    3.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7176    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    6.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622    7.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3722    8.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    8.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    8.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983    1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.3610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0047   -0.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.3867    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6853   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612    1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215    1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  3 16  1  0  0  0  0
 16 17  2  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
 20 21  2  0  0  0  0
 22 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  1  0  0  0
 24 22  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 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
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353415

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12[C@H](OC(=O)\C=C\C=C\C=C\C(O)=O)C=C3COC(=O)[C@]3(O)[C@@]1(C)CCCC2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C23H28O7/c1-21(2)11-8-12-22(3)19(21)16(13-15-14-29-20(27)23(15,22)28)30-18(26)10-7-5-4-6-9-17(24)25/h4-7,9-10,13,16,19,28H,8,11-12,14H2,1-3H3,(H,24,25)/b5-4+,9-6+,10-7+/t16-,19+,22+,23+/m1/s1

> <INCHI_KEY>
GJXCTYKNVWKUHV-PYOXOKMOSA-N

> <FORMULA>
C23H28O7

> <MOLECULAR_WEIGHT>
416.47

> <EXACT_MASS>
416.183503242

$$$$

HEADER    PROTEIN                                 22-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAR-23         0                                  
HETATM    1  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       2.145   2.079   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.956   3.388   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.228   4.745   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.040   6.054   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.579   6.006   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.312   7.411   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.123   8.720   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.395  10.077   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.206  11.386   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.478  12.743   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.289  14.052   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.561  15.409   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.373  16.718   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.022  15.457   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.495   3.340   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.223   1.983   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.719   1.616   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.832   0.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.406  -0.502   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.039  -1.998   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.412   0.674   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.742  -0.713   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.873   0.722   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.146  -0.794   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.062  -0.587   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.522  -0.539   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.206   0.818   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.606   2.127   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.674   2.984   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.600   3.667   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24   29                                             
CONECT    3    2    4   16                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    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   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    3   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   17   23   24                                             
CONECT   23   22                                                            
CONECT   24   22    2   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28    2   30   31                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₈O₇

Average Mass

416.4700 Da

Monoisotopic Mass

416.18350 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12[C@H](OC(=O)\C=C\C=C\C=C\C(O)=O)C=C3COC(=O)[C@]3(O)[C@@]1(C)CCCC2(C)C

InChI Identifier

InChI=1S/C23H28O7/c1-21(2)11-8-12-22(3)19(21)16(13-15-14-29-20(27)23(15,22)28)30-18(26)10-7-5-4-6-9-17(24)25/h4-7,9-10,13,16,19,28H,8,11-12,14H2,1-3H3,(H,24,25)/b5-4+,9-6+,10-7+/t16-,19+,22+,23+/m1/s1

InChI Key

GJXCTYKNVWKUHV-PYOXOKMOSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-21	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Aspergillus ustus		Not Available

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

External Links

Not Available

References

General References

Showing NP-Card for Ustusolate F (NP0353415)

MOL for NP0353415 (Ustusolate F)

3D MOL for NP0353415 (Ustusolate F)

3D SDF for NP0353415 (Ustusolate F)

3D-SDF for NP0353415 (Ustusolate F)

PDB for NP0353415 (Ustusolate F)

3D PDB for NP0353415 (Ustusolate F)

SMILES for NP0353415 (Ustusolate F)

INCHI for NP0353415 (Ustusolate F)

Structure for NP0353415 (Ustusolate F)

3D Structure for NP0353415 (Ustusolate F)