NP-MRD: Showing NP-Card for (1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate (NP0327329)

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Record Information

Version

2.0

Created at

2022-09-12 09:48:58 UTC

Updated at

2022-09-12 09:48:58 UTC

NP-MRD ID

NP0327329

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate

Description

(1S,2R,4S,5R,9R,10R,13R,14S,15S,17R)-9-(furan-3-yl)-15-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]Octadecan-17-yl (2E)-2-methylbut-2-enoate belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. (1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate is found in Swietenia mahagoni. Based on a literature review very few articles have been published on (1S,2R,4S,5R,9R,10R,13R,14S,15S,17R)-9-(furan-3-yl)-15-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]Octadecan-17-yl (2E)-2-methylbut-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122211482D          

 42 47  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309122211482D          

 42 47  0  0  1  0            999 V2000
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   -0.2781   -1.3016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5837   -1.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6113   -0.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361   -0.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217    0.1561    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6379    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622    0.1443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6601    0.8670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4850    0.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916    1.5563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312    2.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043    3.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7320   -0.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598   -0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175    0.1087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9625    0.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7922    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082    0.1301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6131    0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    0.1450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4325    0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833    1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6863    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    1.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2513    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584   -0.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4843   -1.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341   -1.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8087   -0.5918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9614   -0.6609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2659   -1.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4540   -1.3582    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  2  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 39 38  1  1  0  0  0
 27 39  1  0  0  0  0
 39 40  1  0  0  0  0
 24 40  1  0  0  0  0
 40 41  1  6  0  0  0
 42 41  1  6  0  0  0
  9 42  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0327329

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(\C)=C\C)[C@H]2[C@H]3O[C@@]33[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4C3=COC=C3)[C@@]1(C)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H40O10/c1-8-15(2)27(36)41-25-20-23(35)31(6,22(29(25,3)4)21(34)28(37)38-7)17-9-11-30(5)18(32(17)26(20)42-32)13-19(33)40-24(30)16-10-12-39-14-16/h8,10,12,14,17-18,20-22,24-26,34H,9,11,13H2,1-7H3/b15-8+/t17-,18-,20+,21+,22+,24+,25-,26-,30-,31-,32-/m1/s1

> <INCHI_KEY>
ZLLFWDPLUDQDKS-DDGAKJCFSA-N

> <FORMULA>
C32H40O10

> <MOLECULAR_WEIGHT>
584.662

> <EXACT_MASS>
584.262147488

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.875  -6.477   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.116  -5.136   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.576  -5.123   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.795  -6.450   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.818  -3.783   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.599  -2.456   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.278  -3.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.519  -2.430   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.090  -2.460   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.141  -1.054   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.681  -1.094   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.160   0.291   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.191   1.831   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.489   0.269   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.232   1.618   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.772   1.650   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.435   2.936   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.104   2.905   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.178   4.285   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.381   5.603   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.366  -1.077   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.712  -0.328   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.725  -1.802   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.833   0.203   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.663   1.549   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.212   1.578   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.989   0.243   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.744   1.585   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.528   0.271   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.274   1.618   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.622   3.013   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.748   4.064   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.095   3.319   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.802   1.807   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.322  -1.049   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.577  -2.396   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       8.371  -3.716   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.037  -2.424   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.243  -1.105   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.661  -1.234   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.230  -2.724   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.714  -2.535   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10   42                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   24                                             
CONECT   13   12                                                            
CONECT   14   12   15   21                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21   14    8   22   23                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   12   25   40                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29   39                                             
CONECT   28   27                                                            
CONECT   29   27   30   35                                                  
CONECT   30   29   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   30                                                       
CONECT   35   29   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   27   40                                                  
CONECT   40   39   24   41   42                                             
CONECT   41   40   42                                                       
CONECT   42   41    9   40                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,4S,5R,9R,10R,13R,14S,15S,17R)-9-(Furan-3-yl)-15-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0,.0,.0,]octadecan-17-yl (2E)-2-methylbut-2-enoic acid	Generator

Chemical Formula

C₃₂H₄₀O₁₀

Average Mass

584.6620 Da

Monoisotopic Mass

584.26215 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(\C)=C\C)[C@H]2[C@H]3O[C@@]33[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4C3=COC=C3)[C@@]1(C)C2=O

InChI Identifier

InChI=1S/C32H40O10/c1-8-15(2)27(36)41-25-20-23(35)31(6,22(29(25,3)4)21(34)28(37)38-7)17-9-11-30(5)18(32(17)26(20)42-32)13-19(33)40-24(30)16-10-12-39-14-16/h8,10,12,14,17-18,20-22,24-26,34H,9,11,13H2,1-7H3/b15-8+/t17-,18-,20+,21+,22+,24+,25-,26-,30-,31-,32-/m1/s1

InChI Key

ZLLFWDPLUDQDKS-DDGAKJCFSA-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
Swietenia mahagoni	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
Mexicanolide
Naphthopyran
Naphthalene
Tricarboxylic acid or derivatives
Delta valerolactone
Fatty acid ester
Delta_valerolactone
Oxepane
Fatty acyl
Oxane
Pyran
Furan
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Secondary alcohol
Lactone
Carboxylic acid ester
Ketone
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Dialkyl ether
Ether
Oxirane
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
Alcohol
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

163187350

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate (NP0327329)

MOL for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

3D MOL for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

3D SDF for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

3D-SDF for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

PDB for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

3D PDB for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

SMILES for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

INCHI for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

Structure for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)

3D Structure for NP0327329 ((1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate)