NP-MRD: Showing NP-Card for Sarcoberginol A (NP0354037)

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Record Information

Version

2.0

Created at

2026-05-07 08:22:09 UTC

Updated at

2026-06-04 03:35:32 UTC

NP-MRD ID

NP0354037

Natural Product DOI

https://doi.org/10.57994/8603

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Sarcoberginol A

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 06052305282D          

 22 22  0  0  1  0            999 V2000
    4.6770   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524   -1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5143   -1.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235   -1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865   -0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0636   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6155   -2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1341    0.4078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9451    0.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7971    0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742    1.5504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9935    1.9545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    2.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602    1.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549    0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4064    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11  2  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  6  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0354037

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C1=C/CCC(=C)[C@H](O)CC[C@](C)(O)\C=C\C(C)(C)CCC1

> <INCHI_IDENTIFIER>
InChI=1S/C20H34O2/c1-16-8-6-10-17(2)18(21)11-13-20(5,22)15-14-19(3,4)12-7-9-16/h8,14-15,18,21-22H,2,6-7,9-13H2,1,3-5H3/b15-14+,16-8+/t18-,20+/m1/s1

> <INCHI_KEY>
YCEJGBSUYTTYRG-HEQOHHJHSA-N

> <FORMULA>
C20H34O2

> <MOLECULAR_WEIGHT>
306.49

> <EXACT_MASS>
306.255880335

$$$$

HEADER    PROTEIN                                 05-JUN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-JUN-23         0                                  
HETATM    1  C   UNK     0       8.730  -0.798   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.191  -0.840   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.751  -2.274   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.560  -3.250   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.264  -2.419   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.590  -2.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.614  -1.429   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.095  -1.678   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.119  -0.487   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.016  -4.049   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.717   0.761   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.231   1.044   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.741   1.952   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.221   1.703   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.245   2.894   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.588   3.648   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.736   4.347   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.726   2.644   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.182   1.203   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.662   0.954   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.360   2.464   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.759   1.547   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   20                                                       
CONECT   10    6                                                            
CONECT   11    2   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    9   21   22                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₄O₂

Average Mass

306.4900 Da

Monoisotopic Mass

306.25588 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C1=C/CCC(=C)[C@H](O)CC[C@](C)(O)\C=C\C(C)(C)CCC1

InChI Identifier

InChI=1S/C20H34O2/c1-16-8-6-10-17(2)18(21)11-13-20(5,22)15-14-19(3,4)12-7-9-16/h8,14-15,18,21-22H,2,6-7,9-13H2,1,3-5H3/b15-14+,16-8+/t18-,20+/m1/s1

InChI Key

YCEJGBSUYTTYRG-HEQOHHJHSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	Ningbo University	Xia Yan	2026-05-07	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sarcophyton ehrenbergi		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 Sarcoberginol A (NP0354037)

MOL for NP0354037 (Sarcoberginol A)

3D MOL for NP0354037 (Sarcoberginol A)

3D SDF for NP0354037 (Sarcoberginol A)

3D-SDF for NP0354037 (Sarcoberginol A)

PDB for NP0354037 (Sarcoberginol A)

3D PDB for NP0354037 (Sarcoberginol A)

SMILES for NP0354037 (Sarcoberginol A)

INCHI for NP0354037 (Sarcoberginol A)

Structure for NP0354037 (Sarcoberginol A)

3D Structure for NP0354037 (Sarcoberginol A)