NP-MRD: Showing NP-Card for (1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate (NP0325728)

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Record Information

Version

2.0

Created at

2022-09-12 06:42:30 UTC

Updated at

2022-09-12 06:42:30 UTC

NP-MRD ID

NP0325728

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122208422D          

 41 44  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309122208422D          

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    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9590    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0960    1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8970    1.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    2.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    2.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770    2.0945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4619    2.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263    3.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    3.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113    4.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837   -0.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837    0.8857    0.0000 C   0  0  0  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  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  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  2  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  8 33  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 29 38  1  6  0  0  0
 23 38  1  6  0  0  0
 10 39  1  6  0  0  0
  9 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0325728

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(/C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)\C(C)=C\[C@@]34O[C@@]3(C[C@H](C)[C@@H]4O)C(=O)[C@@H]1C)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C32H44O9/c1-11-15(3)28(36)39-24-19(7)27(35)32-14-18(6)26(34)31(32,41-32)13-17(5)23(38-20(8)33)25(22-21(24)30(22,9)10)40-29(37)16(4)12-2/h11-13,18-19,21-26,34H,14H2,1-10H3/b15-11+,16-12+,17-13+/t18-,19+,21-,22?,23+,24-,25-,26-,31-,32-/m0/s1

> <INCHI_KEY>
VUGGPQLUADHDCY-ZZVUYZNFSA-N

> <FORMULA>
C32H44O9

> <MOLECULAR_WEIGHT>
572.695

> <EXACT_MASS>
572.298532997

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
61.72388836713739

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-4-yl (2E)-2-methylbut-2-enoate

> <JCHEM_LOGP>
5.3864584236666655

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.24990210541752

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.61751150907589

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4030069332289754

> <JCHEM_POLAR_SURFACE_AREA>
128.73000000000002

> <JCHEM_REFRACTIVITY>
151.01180000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-4-yl (2E)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

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      10.903   6.217   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.686   5.274   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.893   3.748   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.319   3.165   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.676   2.805   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.884   1.279   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       7.250   3.388   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.033   2.445   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.121  -2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       7.454  -3.080   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.788  -2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       7.454  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.121  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.788  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.788  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.453  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.453  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.120  -0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.655  -0.476   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.250   0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.790   0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.179   3.481   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.120   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.541   2.445   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.017   3.910   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.112   5.156   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.557   3.910   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.462   5.156   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.836   6.563   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.304   6.724   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.741   7.808   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       3.453   0.770   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.788   0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.050  -0.113   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.050   1.653   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   33                                                  
CONECT    9    8   10   39                                                  
CONECT   10    9   11   39                                                  
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17                                                            
CONECT   19   11   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   29   38                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   23   30   38                                             
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31    8   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   29   23                                                       
CONECT   39   10    9   40   41                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₄O₉

Average Mass

572.6950 Da

Monoisotopic Mass

572.29853 Da

IUPAC Name

(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-4-yl (2E)-2-methylbut-2-enoate

Traditional Name

CAS Registry Number

Not Available

SMILES

C\C=C(/C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)\C(C)=C\[C@@]34O[C@@]3(C[C@H](C)[C@@H]4O)C(=O)[C@@H]1C)C2(C)C

InChI Identifier

InChI=1S/C32H44O9/c1-11-15(3)28(36)39-24-19(7)27(35)32-14-18(6)26(34)31(32,41-32)13-17(5)23(38-20(8)33)25(22-21(24)30(22,9)10)40-29(37)16(4)12-2/h11-13,18-19,21-26,34H,14H2,1-10H3/b15-11+,16-12+,17-13+/t18-,19+,21-,22?,23+,24-,25-,26-,31-,32-/m0/s1

InChI Key

VUGGPQLUADHDCY-ZZVUYZNFSA-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
Euphorbia caerulescens	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	5.39	ChemAxon
pKa (Strongest Acidic)	13.62	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	128.73 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	151.01 m³·mol⁻¹	ChemAxon
Polarizability	61.72 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate (NP0325728)

MOL for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

3D MOL for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

3D SDF for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

3D-SDF for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

PDB for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

3D PDB for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

SMILES for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

INCHI for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

Structure for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)

3D Structure for NP0325728 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-9-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-4-yl (2e)-2-methylbut-2-enoate)