NP-MRD: Showing NP-Card for (3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate (NP0151673)

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Record Information

Version

2.0

Created at

2022-09-02 08:01:23 UTC

Updated at

2022-09-02 08:01:23 UTC

NP-MRD ID

NP0151673

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate

Description

Chaetantherol senecioate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. (3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate is found in Chaetanthera chilensis. Based on a literature review very few articles have been published on Chaetantherol senecioate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -7.0642   -1.1338    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6142   -0.8473   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6019   -0.8602    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2886   -0.5872   -1.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9011   -0.3016   -1.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6040   -0.0481   -2.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486   -0.2744   -0.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369    0.0126   -1.2416 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6449   -1.1698   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -1.2076    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549    0.1239    0.9620 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6322    0.5525    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6211   -0.1823    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9731    0.1841    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    0.4753    0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5005    0.8024    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676    2.0481    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3663    2.1190   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0277    0.9457   -0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -0.2256   -0.1979 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    1.0569    0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9952    1.2724   -0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1456   -1.9450    0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4848   -0.1786    0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5860   -1.4846   -0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1181   -1.1620    1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7997   -1.6072    0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1506    0.1492    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0097   -0.5683   -2.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640    0.1906   -2.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2739   -2.0920   -1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204   -1.2381   -1.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064   -1.8345    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9742   -1.7904    0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846   -0.0324    2.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8745    1.3832   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -1.0557    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4264    2.9360    0.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9163    3.0810   -0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0888    0.8099   -0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1108    1.6527   -1.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8306    2.0311   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 21  1  0
 21 22  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  3  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 22  8  1  0
 20 16  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  1
 22 41  1  0
 22 42  1  0
 12 36  1  0
 13 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
M  END


  Mrv1652309022210012D          

 22 23  0  0  1  0            999 V2000
   -0.7145   15.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   14.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   13.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   13.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   12.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   12.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   12.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.7161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000   11.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   10.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   10.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    9.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    8.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    5.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    5.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    5.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    5.8687    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   10.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   11.3036    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0151673

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC(=O)O[C@@H]1CCC(OC1)\C=C\C#CC1=CC=CS1

> <INCHI_IDENTIFIER>
InChI=1S/C18H20O3S/c1-14(2)12-18(19)21-16-10-9-15(20-13-16)6-3-4-7-17-8-5-11-22-17/h3,5-6,8,11-12,15-16H,9-10,13H2,1-2H3/b6-3+/t15?,16-/m1/s1

> <INCHI_KEY>
VPYPJILGQRJHIF-WMDGPGLJSA-N

> <FORMULA>
C18H20O3S

> <MOLECULAR_WEIGHT>
316.42

> <EXACT_MASS>
316.113315678

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
35.683423857374635

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R)-6-[(1E)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate

> <ALOGPS_LOGP>
4.43

> <JCHEM_LOGP>
4.658941204999999

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.189339378287401

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
87.3939

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.90e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R)-6-[(1E)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  28.030   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  26.490   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.000  25.720   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  25.720   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  24.180   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -4.001  23.410   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.334  23.410   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.334  21.870   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.000  21.100   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.000  19.560   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  18.790   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  17.250   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.000  16.480   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.000  14.940   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.000  13.400   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  11.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.246  10.955   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.770   9.490   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.770   9.490   0.000  0.00  0.00           C+0
HETATM   20  S   UNK     0      -1.246  10.955   0.000  0.00  0.00           S+0
HETATM   21  O   UNK     0      -2.667  19.560   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.667  21.100   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   22                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   21                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   16                                                       
CONECT   21   11   22                                                       
CONECT   22   21    8                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
Chaetantherol senecioic acid	Generator

Chemical Formula

C₁₈H₂₀O₃S

Average Mass

316.4200 Da

Monoisotopic Mass

316.11332 Da

IUPAC Name

(3R)-6-[(1E)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate

Traditional Name

(3R)-6-[(1E)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC(C)=CC(=O)O[C@@H]1CCC(OC1)\C=C\C#CC1=CC=CS1

InChI Identifier

InChI=1S/C18H20O3S/c1-14(2)12-18(19)21-16-10-9-15(20-13-16)6-3-4-7-17-8-5-11-22-17/h3,5-6,8,11-12,15-16H,9-10,13H2,1-2H3/b6-3+/t15?,16-/m1/s1

InChI Key

VPYPJILGQRJHIF-WMDGPGLJSA-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
Chaetanthera chilensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid esters

Alternative Parents

Substituents

Fatty acid ester
Oxane
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Thiophene
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	4.43	ALOGPS
logP	4.66	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	35.53 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	87.39 m³·mol⁻¹	ChemAxon
Polarizability	35.68 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

14890330

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate (NP0151673)

MOL for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

3D MOL for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

3D SDF for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

3D-SDF for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

PDB for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

3D PDB for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

SMILES for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

INCHI for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

Structure for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)

3D Structure for NP0151673 ((3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate)