Np mrd loader

Showing NP-Card for (1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide (NP0353671)

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Record Information
Version2.0
Created at2026-02-24 13:50:36 UTC
Updated at2026-02-24 16:01:24 UTC
NP-MRD IDNP0353671
Natural Product DOIhttps://doi.org/10.57994/8210
Secondary Accession NumbersNone
Natural Product Identification
Common Name(1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide
Description (1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide was first documented in 2021 (PMID: 33567826).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)


  Mrv2104 03252311022D          

 24 26  0  0  1  0            999 V2000
    2.5516   -0.7025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  2  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
    4.0668   -1.5229    0.0000 C   0  0  1  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
    4.7812   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0668   -3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    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
    1.8532   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5983   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -1.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    0.0000 O   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
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
Download

3D MOL for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)

Download
3D SDF for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)

  Mrv2104 03252311022D          

 24 26  0  0  1  0            999 V2000
    2.5516   -0.7025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  2  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
    4.0668   -1.5229    0.0000 C   0  0  1  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
    4.7812   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0668   -3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    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
    1.8532   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5983   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -1.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    0.0000 O   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
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353671

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@@]3(C)[C@H](OC(C)=O)C(=O)C=C(C)[C@]3([H])CC1=C(C)C(=O)O2

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O5/c1-8-5-13(19)15(21-10(3)18)17(4)7-14-11(6-12(8)17)9(2)16(20)22-14/h5,12,14-15H,6-7H2,1-4H3/t12-,14+,15+,17+/m0/s1

> <INCHI_KEY>
OWLOPHNHXBLXJM-DPAVQSFQSA-N

> <FORMULA>
C17H20O5

> <MOLECULAR_WEIGHT>
304.342

> <EXACT_MASS>
304.131073744

$$$$

Download
3D-SDF for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)
Download
PDB for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)
HEADER    PROTEIN                                 25-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAR-23         0                                  
HETATM    1  H   UNK     0       4.763  -1.311   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.591  -2.843   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.591  -1.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.925  -2.073   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.925  -0.533   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.259   0.237   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.259   1.777   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.592  -0.533   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.259  -2.843   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.592  -2.073   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.259  -4.383   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.925  -5.153   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.925  -6.693   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.591  -4.383   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       7.591  -5.923   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0       6.258  -5.153   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.924  -4.383   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.459  -4.859   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.983  -6.323   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.554  -3.613   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.014  -3.613   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.459  -2.367   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19   24                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6   16                                             
CONECT    5    4                                                            
CONECT    6    4    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    4   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18    2   20                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    2                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

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3D PDB for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)
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SMILES for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)
[H][C@@]12C[C@@]3(C)[C@H](OC(C)=O)C(=O)C=C(C)[C@]3([H])CC1=C(C)C(=O)O2
Download
INCHI for NP0353671 ((1S,5S,8R,10R)-1-Acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide)
InChI=1S/C17H20O5/c1-8-5-13(19)15(21-10(3)18)17(4)7-14-11(6-12(8)17)9(2)16(20)22-14/h5,12,14-15H,6-7H2,1-4H3/t12-,14+,15+,17+/m0/s1
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View in JSmol
SynonymsNot Available
Chemical FormulaC17H20O5
Average Mass304.3420 Da
Monoisotopic Mass304.13107 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]12C[C@@]3(C)[C@H](OC(C)=O)C(=O)C=C(C)[C@]3([H])CC1=C(C)C(=O)O2
InChI Identifier
InChI=1S/C17H20O5/c1-8-5-13(19)15(21-10(3)18)17(4)7-14-11(6-12(8)17)9(2)16(20)22-14/h5,12,14-15H,6-7H2,1-4H3/t12-,14+,15+,17+/m0/s1
InChI KeyOWLOPHNHXBLXJM-DPAVQSFQSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 400.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-24View Spectrum
1D NMR13C NMR Spectrum (1D, 100.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-24View Spectrum
Species
Species of Origin
Species NameSourceReference
Salvia plebeia
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. DOI: 10.1021/acs.jnatprod.0c00829
  2. PMID: 33567826