NP-MRD: Showing NP-Card for (2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one (NP0215522)

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Record Information

Version

2.0

Created at

2022-09-05 15:10:08 UTC

Updated at

2022-09-05 15:10:08 UTC

NP-MRD ID

NP0215522

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

Description

(2R)-1-[(3R,5S,7S)-3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]Trideca-1(13),9,11-trien-13-yl]-2-methylbutan-1-one belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone. (2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one is found in Hypericum chinense. Based on a literature review very few articles have been published on (2R)-1-[(3R,5S,7S)-3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]Trideca-1(13),9,11-trien-13-yl]-2-methylbutan-1-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052217102D          

 41 47  0  0  1  0            999 V2000
    5.4957   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052217102D          

 41 47  0  0  1  0            999 V2000
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    1.4097   -2.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607    2.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144    2.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282    1.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    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
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 33 38  1  0  0  0  0
 29 39  1  0  0  0  0
 40 39  1  6  0  0  0
 18 40  1  0  0  0  0
 40 41  1  0  0  0  0
 15 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0215522

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@H](C)C(=O)C1=C(O)C(C)=C(OC)C2=C1O[C@@]1(O[C@@H](C[C@@H]1C2)C1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H32O9/c1-5-16(2)28(33)27-29(34)17(3)30(35-4)21-11-20-13-24(18-6-8-22-25(10-18)38-14-36-22)40-32(20,41-31(21)27)19-7-9-23-26(12-19)39-15-37-23/h6-10,12,16,20,24,34H,5,11,13-15H2,1-4H3/t16-,20+,24+,32+/m1/s1

> <INCHI_KEY>
QQKWQUVKXGHNEF-DNGPZCJASA-N

> <FORMULA>
C32H32O9

> <MOLECULAR_WEIGHT>
560.599

> <EXACT_MASS>
560.20463261

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
59.08847969306191

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-1-[(3R,5S,7S)-3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

> <JCHEM_LOGP>
7.293433815

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.90433020267695

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.846006354922752

> <JCHEM_PKA_STRONGEST_BASIC>
-4.055574266564393

> <JCHEM_POLAR_SURFACE_AREA>
101.91000000000003

> <JCHEM_REFRACTIVITY>
147.23540000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-1-[(3R,5S,7S)-3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      10.259  -3.317   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.925  -2.547   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.925  -1.007   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.259  -0.237   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.591  -0.237   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.258  -1.007   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.591   1.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.259   1.303   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.259   4.383   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.591   5.923   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.258   6.693   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.924   1.303   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.429   0.541   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.675  -0.364   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.514  -1.895   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.107  -2.522   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.861  -1.617   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.022  -0.085   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.616  -2.522   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.091  -3.986   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.631  -3.986   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.320   2.843   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.090   1.509   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.630   1.509   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.400   2.843   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.630   4.177   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.090   4.177   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -3.660   5.321   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -5.067   4.695   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.906   3.163   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.924   4.383   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   16                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   41                                                  
CONECT   16   15    7   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   28   40                                             
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23   19                                                       
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28   18   29                                                       
CONECT   29   28   30   39                                                  
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   38                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34   30                                                       
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   33                                                       
CONECT   39   29   40                                                       
CONECT   40   39   18   41                                                  
CONECT   41   40   15                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₂O₉

Average Mass

560.5990 Da

Monoisotopic Mass

560.20463 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@@H](C)C(=O)C1=C(O)C(C)=C(OC)C2=C1O[C@@]1(O[C@@H](C[C@@H]1C2)C1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C32H32O9/c1-5-16(2)28(33)27-29(34)17(3)30(35-4)21-11-20-13-24(18-6-8-22-25(10-18)38-14-36-22)40-32(20,41-31(21)27)19-7-9-23-26(12-19)39-15-37-23/h6-10,12,16,20,24,34H,5,11,13-15H2,1-4H3/t16-,20+,24+,32+/m1/s1

InChI Key

QQKWQUVKXGHNEF-DNGPZCJASA-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
Hypericum chinense	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

5-O-methylated flavonoids

Alternative Parents

Substituents

5-methoxyflavonoid-skeleton
7-hydroxyflavonoid
Hydroxyflavonoid
Flavan
Butyrophenone
Chromane
Benzopyran
1-benzopyran
Benzodioxole
Furopyran
Anisole
Aryl alkyl ketone
Aryl ketone
Ketal
Alkyl aryl ether
Benzenoid
Pyran
Tetrahydrofuran
Furan
Vinylogous acid
Ketone
Acetal
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
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

163193369

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one (NP0215522)

MOL for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D MOL for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D SDF for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D-SDF for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

PDB for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D PDB for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

SMILES for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

INCHI for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

Structure for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D Structure for NP0215522 ((2r)-1-[(3r,5s,7s)-3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)