NP-MRD: Showing NP-Card for 2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate (NP0261486)

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Record Information

Version

2.0

Created at

2022-09-08 03:56:34 UTC

Updated at

2022-09-08 03:56:34 UTC

NP-MRD ID

NP0261486

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate

Description

2-(Acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]Heptadeca-8,14-dien-12-yl propanoate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. 2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate is found in Renilla reniformis. 2-(Acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]Heptadeca-8,14-dien-12-yl propanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004191516552D          

 34 36  0  0  0  0            999 V2000
    1.2790    6.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    5.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    4.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6719    5.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    4.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6025    3.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337    4.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0302    3.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    4.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4578    3.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0124    2.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6454    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7232    1.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2519    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6919    2.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    2.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0469    1.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642    2.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    0.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635    0.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    1.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677    2.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    3.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    4.8459    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  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
  9 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
  6 32  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
  9 34  1  0  0  0  0
M  END


  Mrv1533004191516552D          

 34 36  0  0  0  0            999 V2000
    1.2790    6.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    5.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    4.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6719    5.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    4.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6025    3.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337    4.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0302    3.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    4.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4578    3.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0124    2.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6454    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7232    1.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2519    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6919    2.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    2.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0469    1.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642    2.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    0.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635    0.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    1.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677    2.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    3.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    4.8459    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  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
  9 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
  6 32  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
  9 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0261486

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)OC1CCC(C)=CC2OC(=O)C(C)C2(O)C(OC(C)=O)C2C(C)(O)C(=O)C=CC12C

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O9/c1-7-19(28)33-17-9-8-13(2)12-18-25(31,14(3)22(29)34-18)21(32-15(4)26)20-23(17,5)11-10-16(27)24(20,6)30/h10-12,14,17-18,20-21,30-31H,7-9H2,1-6H3

> <INCHI_KEY>
MVSUOAWDQZQNOJ-UHFFFAOYSA-N

> <FORMULA>
C25H34O9

> <MOLECULAR_WEIGHT>
478.538

> <EXACT_MASS>
478.220282675

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
48.623735090154874

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate

> <ALOGPS_LOGP>
1.95

> <JCHEM_LOGP>
1.9440186726666666

> <ALOGPS_LOGS>
-3.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.039144567256237

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.252185714846023

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7039824961855787

> <JCHEM_POLAR_SURFACE_AREA>
136.43

> <JCHEM_REFRACTIVITY>
120.5849

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       2.387  11.634   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.323  10.096   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.623   9.270   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.988   9.983   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       3.558   7.732   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.858   6.906   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.223   7.619   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.523   6.794   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.888   7.507   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.188   6.682   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.123   5.143   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.223   4.065   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.538   2.686   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      11.251   1.321   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.817   2.821   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.937   1.811   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.758   4.430   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.475   3.578   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.458   5.255   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.921   3.812   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.902   2.625   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.421   2.882   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.365   1.182   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.093   4.542   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.028   3.003   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.383   2.271   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.494   1.535   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.663   2.290   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.599   0.752   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.363   3.116   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.428   4.654   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.793   5.368   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.493   6.193   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.953   9.046   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   32                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   34                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   11   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25   32                                                  
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31    6   24   33                                             
CONECT   33   32                                                            
CONECT   34    9                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Value	Source
2-(Acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0,]heptadeca-8,14-dien-12-yl propanoic acid	Generator
2-(Acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoic acid	Generator

Chemical Formula

C₂₅H₃₄O₉

Average Mass

478.5380 Da

Monoisotopic Mass

478.22028 Da

IUPAC Name

2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate

Traditional Name

2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate

CAS Registry Number

Not Available

SMILES

CCC(=O)OC1CCC(C)=CC2OC(=O)C(C)C2(O)C(OC(C)=O)C2C(C)(O)C(=O)C=CC12C

InChI Identifier

InChI=1S/C25H34O9/c1-7-19(28)33-17-9-8-13(2)12-18-25(31,14(3)22(29)34-18)21(32-15(4)26)20-23(17,5)11-10-16(27)24(20,6)30/h10-12,14,17-18,20-21,30-31H,7-9H2,1-6H3

InChI Key

MVSUOAWDQZQNOJ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Renilla reniformis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Briarane diterpenoid
Tricarboxylic acid or derivatives
Cyclohexenone
Acyloin
Gamma butyrolactone
Tertiary alcohol
Tetrahydrofuran
Carboxylic acid ester
Ketone
Lactone
Cyclic ketone
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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
logP	1.95	ALOGPS
logP	1.94	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	12.25	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	136.43 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	120.58 m³·mol⁻¹	ChemAxon
Polarizability	48.62 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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

73816775

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate (NP0261486)

MOL for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

3D MOL for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

3D SDF for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

3D-SDF for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

PDB for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

3D PDB for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

SMILES for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

INCHI for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

Structure for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)

3D Structure for NP0261486 (2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl propanoate)