NP-MRD: Showing NP-Card for (1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate (NP0171475)

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Record Information

Version

2.0

Created at

2022-09-03 08:00:41 UTC

Updated at

2022-09-03 08:00:41 UTC

NP-MRD ID

NP0171475

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate

Description

Swietenitin H belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. (1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate is found in Swietenia macrophylla. Based on a literature review very few articles have been published on Swietenitin H.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032210002D          

 62 68  0  0  1  0            999 V2000
    6.5351   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          2D

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M  END


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M  END
> <DATABASE_ID>
NP0171475

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)OC1C2(OC(C)=O)C(OC(=O)C(\C)=C\C)[C@]3(C)CC22OC4(C)O[C@@]11[C@H](CC(=O)OC)[C@](C)(CC(OC(C)=O)[C@]1(O4)[C@]2(C)[C@H]3CC(=O)OC)[C@H](OC(C)=O)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C44H56O18/c1-13-22(3)34(51)58-35-38(8)21-41-39(9,27(38)17-31(49)52-11)44-29(55-23(4)45)19-37(7,33(56-24(5)46)26-15-16-54-20-26)28(18-32(50)53-12)42(44,61-40(10,60-41)62-44)36(57-30(48)14-2)43(35,41)59-25(6)47/h13,15-16,20,27-29,33,35-36H,14,17-19,21H2,1-12H3/b22-13+/t27-,28+,29?,33+,35?,36?,37-,38+,39+,40?,41?,42-,43?,44-/m0/s1

> <INCHI_KEY>
CSEGILGYHYMKDO-UMZMWZKFSA-N

> <FORMULA>
C44H56O18

> <MOLECULAR_WEIGHT>
872.914

> <EXACT_MASS>
872.346664963

> <ALOGPS_LOGP>
3.31

> <ALOGPS_LOGS>
-3.53

> <ALOGPS_SOLUBILITY>
2.59e-01 g/l

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      12.199  -0.864   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.177   0.288   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.668  -0.022   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.182  -1.483   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.646   1.130   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.132   2.591   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       7.137   0.821   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.115   1.973   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.473   1.874   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.695   0.350   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.126  -0.219   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.349  -1.743   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.571   0.316   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.835   1.490   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.387   0.017   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.439  -1.108   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.939  -0.759   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.991  -2.581   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.043  -3.706   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.712   2.696   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.044   4.431   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.559   5.645   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.227   7.149   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.252   5.231   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.629   3.389   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.507   2.905   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.477   3.976   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.952   4.419   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.376   5.130   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.540   6.661   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.948   7.284   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.192   6.377   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       7.113   8.816   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.521   9.439   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.950   4.166   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.350   5.584   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.009   3.759   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.453   5.434   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.122   4.148   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -0.202   5.654   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -1.668   6.126   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.810   5.093   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -1.992   7.632   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -1.141   3.232   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.747   1.755   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -0.885   0.221   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -2.282   1.623   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -2.935   0.229   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -4.469   0.097   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -5.351   1.360   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -5.123  -1.298   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      -3.163   2.886   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -4.703   2.916   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -5.151   4.389   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -3.888   5.270   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -2.659   4.341   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       0.747   1.350   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       1.265  -0.101   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       0.267  -1.274   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      -1.248  -0.996   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0       0.784  -2.724   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      -0.214  -3.897   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   27                                                  
CONECT    9    8   10   14   25                                             
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   14   21   37   57                                             
CONECT   21   20   22                                                       
CONECT   22   21   23   24   38                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24    9   26   35                                             
CONECT   26   25   27                                                       
CONECT   27   26    8   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33                                                            
CONECT   35   29   25   36   37                                             
CONECT   36   35                                                            
CONECT   37   35   20   38   39                                             
CONECT   38   37   22                                                       
CONECT   39   37   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   39   45                                                       
CONECT   45   44   46   47   57                                             
CONECT   46   45                                                            
CONECT   47   45   48   52                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   47   53   56                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   52                                                       
CONECT   57   45   20   58                                                  
CONECT   58   57   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62                                                       
CONECT   62   61                                                            
MASTER        0    0    0    0    0    0    0    0   62    0  136    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₄H₅₆O₁₈

Average Mass

872.9140 Da

Monoisotopic Mass

872.34666 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(=O)OC1C2(OC(C)=O)C(OC(=O)C(\C)=C\C)[C@]3(C)CC22OC4(C)O[C@@]11[C@H](CC(=O)OC)[C@](C)(CC(OC(C)=O)[C@]1(O4)[C@]2(C)[C@H]3CC(=O)OC)[C@H](OC(C)=O)C1=COC=C1

InChI Identifier

InChI=1S/C44H56O18/c1-13-22(3)34(51)58-35-38(8)21-41-39(9,27(38)17-31(49)52-11)44-29(55-23(4)45)19-37(7,33(56-24(5)46)26-15-16-54-20-26)28(18-32(50)53-12)42(44,61-40(10,60-41)62-44)36(57-30(48)14-2)43(35,41)59-25(6)47/h13,15-16,20,27-29,33,35-36H,14,17-19,21H2,1-12H3/b22-13+/t27-,28+,29?,33+,35?,36?,37-,38+,39+,40?,41?,42-,43?,44-/m0/s1

InChI Key

CSEGILGYHYMKDO-UMZMWZKFSA-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 macrophylla	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Prostaglandins and related compounds

Alternative Parents

Substituents

Prostaglandin skeleton
Diterpenoid
Ortho ester
Fatty acid ester
Dioxepane
Carboxylic acid orthoester
1,3-dioxepane
Meta-dioxane
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Furan
Meta-dioxolane
Orthocarboxylic acid derivative
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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
logP	3.31	ALOGPS
logS	-3.5	ALOGPS

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00048170

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

101486449

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate (NP0171475)

MOL for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

3D MOL for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

3D SDF for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

3D-SDF for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

PDB for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

3D PDB for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

SMILES for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

INCHI for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

Structure for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)

3D Structure for NP0171475 ((1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate)