NP-MRD: Showing NP-Card for Strophioglane B (NP0353825)

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Record Information

Version

2.0

Created at

2026-03-01 06:45:17 UTC

Updated at

2026-06-18 03:41:28 UTC

NP-MRD ID

NP0353825

Natural Product DOI

https://doi.org/10.57994/8386

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Strophioglane B

Description

Strophioglane B was first documented in 2026 (PMID: 41889240).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03302303572D          

 26 29  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6288   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2570    0.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9052    0.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    0.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217    1.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    1.9987    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
  5 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END


  Mrv2104 03302303572D          

 26 29  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6288   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2570    0.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9052    0.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    0.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217    1.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    1.9987    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
  5 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353825

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C12C(CO)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3([H])CCC21O

> <INCHI_IDENTIFIER>
InChI=1/C20H30O4/c1-17(2)12-5-8-20(24)13(18(12,3)7-6-14(17)22)9-15(23)19(4)11(10-21)16(19)20/h9,11-12,14,16,21-22,24H,5-8,10H2,1-4H3

> <INCHI_KEY>
RTEOKZUHXTVGEA-UHFFFAOYNA-N

> <FORMULA>
C20H30O4

> <MOLECULAR_WEIGHT>
334.456

> <EXACT_MASS>
334.214409446

$$$$

HEADER    PROTEIN                                 30-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-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       2.286   1.980   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.239   3.190   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.763   2.970   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.287   2.750   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.382   0.330   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.954  -1.100   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.478  -1.320   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.049  -2.750   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.430  -0.110   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.640  -1.063   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.383   1.100   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.813   1.672   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.023   0.719   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.859   1.320   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       5.906   0.110   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0       2.858   0.550   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.429  -0.880   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.905  -0.660   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.381  -0.440   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.191   0.990   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.715   1.210   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.762   2.200   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.414   3.194   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.929   3.731   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   18   24                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   16                                             
CONECT    6    5                                                            
CONECT    7    5    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   16                                             
CONECT   12   11                                                            
CONECT   13   11   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13    5   11   17                                             
CONECT   17   16                                                            
CONECT   18    7    2   19   20                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    2   25   26                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀O₄

Average Mass

334.4560 Da

Monoisotopic Mass

334.21441 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H]C12C(CO)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3([H])CCC21O

InChI Identifier

InChI=1/C20H30O4/c1-17(2)12-5-8-20(24)13(18(12,3)7-6-14(17)22)9-15(23)19(4)11(10-21)16(19)20/h9,11-12,14,16,21-22,24H,5-8,10H2,1-4H3

InChI Key

RTEOKZUHXTVGEA-UHFFFAOYNA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-03-01	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Strophioblachia Strophioblachia glandulosa var. cordifolia		Not Available
Strophioblachia Strophioblachia glandulosa var. cordifolia		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 Strophioglane B (NP0353825)

MOL for NP0353825 (Strophioglane B)

3D MOL for NP0353825 (Strophioglane B)

3D SDF for NP0353825 (Strophioglane B)

3D-SDF for NP0353825 (Strophioglane B)

PDB for NP0353825 (Strophioglane B)

3D PDB for NP0353825 (Strophioglane B)

SMILES for NP0353825 (Strophioglane B)

INCHI for NP0353825 (Strophioglane B)

Structure for NP0353825 (Strophioglane B)

3D Structure for NP0353825 (Strophioglane B)