NP-MRD: Showing NP-Card for (1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate (NP0219798)

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Record Information

Version

1.0

Created at

2022-09-05 20:54:42 UTC

Updated at

2022-09-05 20:54:42 UTC

NP-MRD ID

NP0219798

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate

Description

(1R,2S,5S,6S,9S,11S,13R)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]Nonadecan-6-yl acetate belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate is found in Sinularia capillosa. Based on a literature review very few articles have been published on (1R,2S,5S,6S,9S,11S,13R)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]Nonadecan-6-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052222542D          

 28 31  0  0  1  0            999 V2000
    4.6084    1.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0153    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2413    1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627    2.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    1.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    0.3781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6267    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747    0.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2362   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132   -0.8411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9935   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955   -1.6368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6186   -2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329   -2.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8544   -2.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382   -2.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7261   -3.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087   -3.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967   -4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033   -2.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713   -1.9071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0778   -2.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -0.6034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7017   -1.1512    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  1  0  0  0
 23 28  1  0  0  0  0
M  END


  Mrv1652309052222542D          

 28 31  0  0  1  0            999 V2000
    4.6084    1.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0153    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2413    1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627    2.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    1.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    0.3781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6267    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747    0.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2362   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132   -0.8411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9935   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955   -1.6368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6186   -2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329   -2.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8544   -2.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382   -2.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7261   -3.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087   -3.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967   -4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033   -2.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713   -1.9071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0778   -2.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -0.6034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7017   -1.1512    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  1  0  0  0
 23 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0219798

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1CC[C@]2(C)O[C@H]2C[C@H]2CC[C@@](C)(OC(=O)C2=C)[C@@H]2CC[C@]1(C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C22H32O6/c1-13-15-6-9-21(4,28-19(13)24)17-8-11-20(3,26-17)16(25-14(2)23)7-10-22(5)18(12-15)27-22/h15-18H,1,6-12H2,2-5H3/t15-,16+,17+,18+,20+,21-,22+/m1/s1

> <INCHI_KEY>
SBHQTFJDBYTNNZ-YERFVPTOSA-N

> <FORMULA>
C22H32O6

> <MOLECULAR_WEIGHT>
392.492

> <EXACT_MASS>
392.21988875

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
42.41705223462649

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,5S,6S,9S,11S,13R)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1^{2,5}.0^{9,11}]nonadecan-6-yl acetate

> <JCHEM_LOGP>
3.205815571666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9227327749077623

> <JCHEM_POLAR_SURFACE_AREA>
74.36

> <JCHEM_REFRACTIVITY>
101.25359999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,6S,9S,11S,13R)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1^{2,5}.0^{9,11}]nonadecan-6-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       8.602   3.568   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.495   2.497   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.050   3.030   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.904   4.563   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       4.733   2.233   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.535   0.706   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.037   1.062   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.605  -0.401   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.138  -0.254   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.979   1.036   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.774  -0.066   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.105  -1.570   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.188  -2.665   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.698  -3.055   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.488  -4.377   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.648  -4.182   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.195  -4.691   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.671  -4.467   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.089  -5.892   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.563  -6.101   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.980  -7.526   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.620  -4.883   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.426  -3.560   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.879  -4.999   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.894  -3.409   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.563  -1.905   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.892  -1.126   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.043  -2.149   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8   27                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    2   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12   14                                                       
CONECT   14   13   12   15   16                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   18   24   25   28                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26    6   28                                                  
CONECT   28   27   23                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   62    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,5S,6S,9S,11S,13R)-1,5,9-Trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1,.0,]nonadecan-6-yl acetic acid	Generator

Chemical Formula

C₂₂H₃₂O₆

Average Mass

392.4920 Da

Monoisotopic Mass

392.21989 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1CC[C@]2(C)O[C@H]2C[C@H]2CC[C@@](C)(OC(=O)C2=C)[C@@H]2CC[C@]1(C)O2

InChI Identifier

InChI=1S/C22H32O6/c1-13-15-6-9-21(4,28-19(13)24)17-8-11-20(3,26-17)16(25-14(2)23)7-10-22(5)18(12-15)27-22/h15-18H,1,6-12H2,2-5H3/t15-,16+,17+,18+,20+,21-,22+/m1/s1

InChI Key

SBHQTFJDBYTNNZ-YERFVPTOSA-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
Sinularia capillosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Caprolactone
Oxepane
Dicarboxylic acid or derivatives
Tetrahydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Carboxylic acid ester
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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

External Links

HMDB ID

Not Available

DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

162917983

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate (NP0219798)

MOL for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

3D MOL for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

3D SDF for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

3D-SDF for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

PDB for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

3D PDB for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

SMILES for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

INCHI for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

Structure for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)

3D Structure for NP0219798 ((1r,2s,5s,6s,9s,11s,13r)-1,5,9-trimethyl-14-methylidene-15-oxo-10,16,19-trioxatetracyclo[11.3.2.1²,⁵.0⁹,¹¹]nonadecan-6-yl acetate)