NP-MRD: Showing NP-Card for (1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate (NP0257106)

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Record Information

Version

2.0

Created at

2022-09-07 22:08:20 UTC

Updated at

2022-09-07 22:08:20 UTC

NP-MRD ID

NP0257106

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

Description

CHEMBL3235611 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. (1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate is found in Clausena emarginata. Based on a literature review very few articles have been published on CHEMBL3235611.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082200082D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082200082D          

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    0.1830   -2.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -3.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -2.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5936   -1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574   -0.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    0.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670    1.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3804    1.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9752    1.1952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7835    1.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227    0.5780    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6866    0.2919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3681   -0.4691    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
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  1  0  0  0
 38 37  1  1  0  0  0
 36 38  1  0  0  0  0
 23 38  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
  5 39  1  0  0  0  0
 13 39  1  0  0  0  0
 39 40  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0257106

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H]([C@@H](O)C[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=CC(O)OC3=O)[C@@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O12/c1-11(29)36-16-9-18(33)39-24(2,3)14-8-15(31)27(6)19(26(14,16)5)13(30)10-25(4)20(12-7-17(32)37-22(12)34)38-23(35)21-28(25,27)40-21/h7,13-14,16-17,19-21,30,32H,8-10H2,1-6H3/t13-,14-,16-,17?,19+,20-,21+,25-,26+,27+,28+/m0/s1

> <INCHI_KEY>
GDCYPRWXUUCAKK-UVVLWALHSA-N

> <FORMULA>
C28H34O12

> <MOLECULAR_WEIGHT>
562.568

> <EXACT_MASS>
562.205026535

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
54.49177441621485

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,4S,7R,8S,10S,11R,12R,13S,18R)-10-hydroxy-7-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0^{2,4}.0^{2,8}.0^{12,18}]icosan-13-yl acetate

> <JCHEM_LOGP>
0.6496487493333325

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.740021176068066

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.779330838745723

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8593508021016536

> <JCHEM_POLAR_SURFACE_AREA>
175.26000000000002

> <JCHEM_REFRACTIVITY>
130.22039999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4S,7R,8S,10S,11R,12R,13S,18R)-10-hydroxy-7-(5-hydroxy-2-oxo-5H-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0^{2,4}.0^{2,8}.0^{12,18}]icosan-13-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       6.861  -4.729   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.661  -3.413   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.200  -3.448   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.921  -2.063   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       7.720  -0.747   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.253  -0.896   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.326   0.209   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.787  -0.278   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      10.130   1.737   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.814   2.536   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.887   3.641   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.975   3.828   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.368   2.006   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.346   3.158   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.838   2.849   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.816   4.001   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.351   1.388   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.201   2.921   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.373   0.236   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.886  -1.225   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.908  -2.377   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.378  -1.534   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.356  -0.382   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.869  -1.843   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.847  -0.691   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.360  -2.152   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.256  -3.405   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.342  -4.644   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.807  -6.112   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.119  -4.157   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -1.108  -2.617   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -2.347  -1.703   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.175   0.461   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       0.312   1.922   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -0.710   3.074   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.820   2.231   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.329   2.540   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.842   1.079   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.882   0.545   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.287  -0.876   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   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14   39                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19   38                                             
CONECT   18   17                                                            
CONECT   19   17   20   39                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25   38                                             
CONECT   24   23                                                            
CONECT   25   23   26   33                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   26   32                                                  
CONECT   32   31                                                            
CONECT   33   25   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36   38                                                       
CONECT   38   37   36   23   17                                             
CONECT   39   19    5   13   40                                             
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₄O₁₂

Average Mass

562.5680 Da

Monoisotopic Mass

562.20503 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H]([C@@H](O)C[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=CC(O)OC3=O)[C@@]12C

InChI Identifier

InChI=1S/C28H34O12/c1-11(29)36-16-9-18(33)39-24(2,3)14-8-15(31)27(6)19(26(14,16)5)13(30)10-25(4)20(12-7-17(32)37-22(12)34)38-23(35)21-28(25,27)40-21/h7,13-14,16-17,19-21,30,32H,8-10H2,1-6H3/t13-,14-,16-,17?,19+,20-,21+,25-,26+,27+,28+/m0/s1

InChI Key

GDCYPRWXUUCAKK-UVVLWALHSA-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
Clausena emarginata	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
Naphthopyran
Tetracarboxylic acid or derivatives
Naphthalene
Caprolactone
1,4-dioxepane
Delta valerolactone
Dioxepane
Delta_valerolactone
Oxepane
2-furanone
Oxane
Pyran
Cyclic alcohol
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Dihydrofuran
Carboxylic acid ester
Secondary alcohol
Lactone
Hemiacetal
Ketone
Oxacycle
Dialkyl ether
Carboxylic acid derivative
Oxirane
Ether
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxygen compound
Organic oxide
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

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

34237208

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

90670772

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate (NP0257106)

MOL for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

3D MOL for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

3D SDF for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

3D-SDF for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

PDB for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

3D PDB for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

SMILES for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

INCHI for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

Structure for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)

3D Structure for NP0257106 ((1r,2r,4s,7r,8s,10s,11r,12r,13s,18r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate)