NP-MRD: Showing NP-Card for luvunscandin H (NP0351830)

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Record Information

Version

2.0

Created at

2025-11-09 01:06:08 UTC

Updated at

2026-01-14 03:35:40 UTC

NP-MRD ID

NP0351830

Natural Product DOI

https://doi.org/10.57994/4900

Secondary Accession Numbers

None

Natural Product Identification

Common Name

luvunscandin H

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05152318182D          

 26 29  0  0  1  0            999 V2000
    5.4957    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2793    2.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0279    2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599    0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352    0.4623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0672   -0.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9464    1.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    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  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  6  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 23  1  6  0  0  0
 12 24  1  0  0  0  0
  9 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 26  1  0  0  0  0
M  END


  Mrv2104 05152318182D          

 26 29  0  0  1  0            999 V2000
    5.4957    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2793    2.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0279    2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599    0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352    0.4623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0672   -0.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9464    1.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    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  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  6  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 23  1  6  0  0  0
 12 24  1  0  0  0  0
  9 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351830

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(OC2=CC3=C(C=CC(=O)O3)C=C2[C@H]1O)[C@]1(C)CC[C@H](O)C(C)(C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C19H22O6/c1-18(2)14(20)6-7-19(3,25-18)17-16(22)11-8-10-4-5-15(21)23-12(10)9-13(11)24-17/h4-5,8-9,14,16-17,20,22H,6-7H2,1-3H3/t14-,16+,17+,19-/m0/s1

> <INCHI_KEY>
SIIPFLHYTNKBNT-WFEDQXDTSA-N

> <FORMULA>
C19H22O6

> <MOLECULAR_WEIGHT>
346.379

> <EXACT_MASS>
346.141638428

$$$$

HEADER    PROTEIN                                 15-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-23         0                                  
HETATM    1  O   UNK     0      10.259   4.383   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.591   1.303   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       7.591   4.383   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.126   1.597   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.650   0.132   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   13  H   UNK     0       0.521   4.215   0.000  0.00  0.00           H+0
HETATM   14  C   UNK     0      -0.320   2.843   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.052   4.359   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.052   1.326   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.232   0.336   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.679   0.863   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -3.859  -0.127   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.946   2.380   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.394   1.853   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.716   3.713   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.767   3.370   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.126   4.089   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3    7                                                       
CONECT    5    2    6                                                       
CONECT    6    5    7   26                                                  
CONECT    7    6    4    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   25                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   24                                             
CONECT   13   12                                                            
CONECT   14   12   15   16   23                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   14                                                       
CONECT   24   12   25                                                       
CONECT   25    9   24   26                                                  
CONECT   26   25    6                                                       
MASTER        0    0    0    0    0    0    0    0   26    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₂O₆

Average Mass

346.3790 Da

Monoisotopic Mass

346.14164 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]1(OC2=CC3=C(C=CC(=O)O3)C=C2[C@H]1O)[C@]1(C)CC[C@H](O)C(C)(C)O1

InChI Identifier

InChI=1S/C19H22O6/c1-18(2)14(20)6-7-19(3,25-18)17-16(22)11-8-10-4-5-15(21)23-12(10)9-13(11)24-17/h4-5,8-9,14,16-17,20,22H,6-7H2,1-3H3/t14-,16+,17+,19-/m0/s1

InChI Key

SIIPFLHYTNKBNT-WFEDQXDTSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	NRICM	Yu-Chi Lin	2025-11-09	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	NRICM	Yu-Chi Lin	2025-11-09	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	NRICM	Yu-Chi Lin	2025-11-09	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	[email protected]	NRICM	Yu-Chi Lin	2025-11-09	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	[email protected]	NRICM	Yu-Chi Lin	2025-11-09	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	[email protected]	NRICM	Yu-Chi Lin	2025-11-09	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

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 luvunscandin H (NP0351830)

MOL for NP0351830 (luvunscandin H)

3D MOL for NP0351830 (luvunscandin H)

3D SDF for NP0351830 (luvunscandin H)

3D-SDF for NP0351830 (luvunscandin H)

PDB for NP0351830 (luvunscandin H)

3D PDB for NP0351830 (luvunscandin H)

SMILES for NP0351830 (luvunscandin H)

INCHI for NP0351830 (luvunscandin H)

Structure for NP0351830 (luvunscandin H)

3D Structure for NP0351830 (luvunscandin H)