NP-MRD: Showing NP-Card for methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate (NP0253387)

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Record Information

Version

2.0

Created at

2022-09-07 17:14:43 UTC

Updated at

2022-09-07 17:14:44 UTC

NP-MRD ID

NP0253387

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate

Description

Methyl (2S,3S)-2-(acetyloxy)-3-[(5R,8S,11S)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]Trideca-1(13),3-dien-11-yl]-4-methylpentanoate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate is found in Coprinellus heptemerus. Based on a literature review very few articles have been published on methyl (2S,3S)-2-(acetyloxy)-3-[(5R,8S,11S)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]Trideca-1(13),3-dien-11-yl]-4-methylpentanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072219142D          

 33 35  0  0  1  0            999 V2000
    1.6772    6.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772    5.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    5.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    5.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    4.5416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6772    4.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628    4.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    4.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628    5.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    4.1291    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8207    4.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    5.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5351    4.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    3.3041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3019    3.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    3.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555    2.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555    2.1483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2567    2.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3337    1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076    0.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330    0.4655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8070   -0.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2063   -1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838   -0.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2258    0.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    1.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232    2.5608    0.0000 O   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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
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  7  9  2  0  0  0  0
 10  5  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 10  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
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
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 22 23  1  1  0  0  0
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 27 31  1  0  0  0  0
 18 31  1  0  0  0  0
 30 32  1  0  0  0  0
 14 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END

     RDKit          3D

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    1.8900   -1.2611    0.1202 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.2694    0.1095    1.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3548    0.7070    0.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3904    1.3657    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3725    1.4388    2.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309072219142D          

 33 35  0  0  1  0            999 V2000
    1.6772    6.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772    5.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    5.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    5.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    4.5416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6772    4.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628    4.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    4.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628    5.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    4.1291    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8207    4.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5351    4.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    3.3041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3019    3.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    3.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555    2.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3337    1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076    0.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330    0.4655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8070   -0.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2063   -1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838   -0.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2258    0.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10  5  1  1  0  0  0
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 30 32  1  0  0  0  0
 14 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0253387

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H](OC(C)=O)[C@@H](C(C)C)[C@]1(C)CC[C@@]2(C)CC[C@@H](OC(C)=O)C3=COC(=C23)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O8/c1-13(2)18(21(23(29)30-7)33-15(4)27)25(6)11-10-24(5)9-8-17(32-14(3)26)16-12-31-20(19(16)24)22(25)28/h12-13,17-18,21H,8-11H2,1-7H3/t17-,18-,21+,24-,25+/m1/s1

> <INCHI_KEY>
DUVKCZPWAMKRGI-RGEYCFOTSA-N

> <FORMULA>
C25H34O8

> <MOLECULAR_WEIGHT>
462.539

> <EXACT_MASS>
462.225368055

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
49.199080361936595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (2S,3S)-2-(acetyloxy)-3-[(5R,8S,11S)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0^{4,13}]trideca-1(13),3-dien-11-yl]-4-methylpentanoate

> <JCHEM_LOGP>
3.5579949673333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9748747815835905

> <JCHEM_POLAR_SURFACE_AREA>
109.11000000000001

> <JCHEM_REFRACTIVITY>
117.82619999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2S,3S)-2-(acetyloxy)-3-[(5R,8S,11S)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0^{4,13}]trideca-1(13),3-dien-11-yl]-4-methylpentanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       3.131  12.328   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.131  10.788   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.465  10.018   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.798  10.788   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.465   8.478   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.131   7.708   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.797   8.478   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.463   7.708   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.797  10.018   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.798   7.708   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.132   8.478   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.132  10.018   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.466   7.708   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.798   6.168   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.297   6.510   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.300   6.510   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.504   5.550   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.504   4.010   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.812   4.822   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.956   3.289   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.094   1.755   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.835   0.869   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.973  -0.665   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.714  -1.551   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.852  -3.085   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.316  -0.904   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.438   1.516   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.022   0.911   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.008   2.071   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.798   3.393   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.300   3.050   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.130   4.780   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.590   4.780   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15   16   32                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   31                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   22   28   31                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30   27   18                                                  
CONECT   32   30   14   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

View in JSmol

Synonyms

Value	Source
Methyl (2S,3S)-2-(acetyloxy)-3-[(5R,8S,11S)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0,]trideca-1(13),3-dien-11-yl]-4-methylpentanoic acid	Generator

Chemical Formula

C₂₅H₃₄O₈

Average Mass

462.5390 Da

Monoisotopic Mass

462.22537 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H](OC(C)=O)[C@@H](C(C)C)[C@]1(C)CC[C@@]2(C)CC[C@@H](OC(C)=O)C3=COC(=C23)C1=O

InChI Identifier

InChI=1S/C25H34O8/c1-13(2)18(21(23(29)30-7)33-15(4)27)25(6)11-10-24(5)9-8-17(32-14(3)26)16-12-31-20(19(16)24)22(25)28/h12-13,17-18,21H,8-11H2,1-7H3/t17-,18-,21+,24-,25+/m1/s1

InChI Key

DUVKCZPWAMKRGI-RGEYCFOTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Coprinellus heptemerus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Aryl ketone
Aryl alkyl ketone
Fatty acid ester
Fatty acyl
Furan
Methyl ester
Heteroaromatic compound
Ketone
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162993830

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate (NP0253387)

MOL for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

3D MOL for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

3D SDF for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

3D-SDF for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

PDB for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

3D PDB for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

SMILES for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

INCHI for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

Structure for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)

3D Structure for NP0253387 (methyl (2s,3s)-2-(acetyloxy)-3-[(5r,8s,11s)-5-(acetyloxy)-8,11-dimethyl-12-oxo-2-oxatricyclo[6.4.1.0⁴,¹³]trideca-1(13),3-dien-11-yl]-4-methylpentanoate)