NP-MRD: Showing NP-Card for (1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione (NP0199125)

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Record Information

Version

2.0

Created at

2022-09-04 17:42:13 UTC

Updated at

2022-09-04 17:42:13 UTC

NP-MRD ID

NP0199125

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione

Description

CHEMBL4439930 belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. (1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione is found in Aspergillus flavipes. Based on a literature review very few articles have been published on CHEMBL4439930.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042219422D          

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M  END

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M  END


  Mrv1652309042219422D          

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    3.1449   -3.7775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6048   -3.1539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8601   -3.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -4.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -2.6861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6532   -3.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943   -3.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0894   -4.0108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424   -3.6607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3997   -4.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5124   -4.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757   -5.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403   -5.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -2.8421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0957   -2.2184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9705   -2.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -2.3743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2590   -3.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -3.6216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2251   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352   -2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8257   -3.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1366   -1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -0.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   -0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850   -2.2184    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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 22  1  6  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  6  0  0  0
 15 30  1  0  0  0  0
 30 31  1  6  0  0  0
 32 31  1  6  0  0  0
 14 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 33 42  1  0  0  0  0
 30 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0199125

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@@H]1N=C(O)[C@]23[C@H]1[C@H](C)C(C)=C[C@@H]2\C=C(C)\CC[C@@H](O)C(=O)[C@@H]1[C@H]2O[C@@H]([C@H]1C3=O)C1=C(C)C(O)=C(O)C(O)=C21

> <INCHI_IDENTIFIER>
InChI=1S/C33H41NO8/c1-12(2)9-18-24-15(5)14(4)11-17-10-13(3)7-8-19(35)26(37)22-23(31(40)33(17,24)32(41)34-18)29-20-16(6)25(36)28(39)27(38)21(20)30(22)42-29/h10-12,15,17-19,22-24,29-30,35-36,38-39H,7-9H2,1-6H3,(H,34,41)/b13-10+/t15-,17+,18+,19-,22-,23+,24+,29-,30+,33+/m1/s1

> <INCHI_KEY>
KQRAUHDTXGNMBP-XGBDJWMISA-N

> <FORMULA>
C33H41NO8

> <MOLECULAR_WEIGHT>
579.69

> <EXACT_MASS>
579.283217284

> <ALOGPS_LOGP>
3.57

> <ALOGPS_LOGS>
-3.49

> <ALOGPS_SOLUBILITY>
1.86e-01 g/l

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.708  -1.465   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.326  -2.686   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.838  -2.395   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.846  -3.559   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.485  -3.169   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.414  -1.941   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.491  -0.605   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.870  -2.445   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.479  -3.740   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.428  -5.672   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.801  -6.324   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.924  -7.127   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.580  -8.649   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.870  -7.051   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.862  -5.887   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.472  -5.998   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.419  -7.797   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.342  -5.014   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.086  -6.362   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.656  -7.062   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       2.034  -7.487   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       0.639  -6.833   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.746  -7.663   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.956  -9.218   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.381  -9.802   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.262 -10.160   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.830  -5.305   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.179  -4.141   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.812  -4.374   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.366  -4.432   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.083  -5.848   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       7.383  -6.760   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.887  -5.305   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.399  -5.014   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      10.875  -6.202   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.903  -3.559   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      11.455  -3.058   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       8.895  -2.395   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.758  -0.977   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       7.383  -2.686   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.763  -0.995   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.879  -4.141   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   28                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   32                                                  
CONECT   15   14   16   30                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    4   19   27                                             
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   22   18   28                                                  
CONECT   28   27    2   29                                                  
CONECT   29   28                                                            
CONECT   30   15   31   42                                                  
CONECT   31   30   32                                                       
CONECT   32   31   14   33                                                  
CONECT   33   32   34   42                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   33   30                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₁NO₈

Average Mass

579.6900 Da

Monoisotopic Mass

579.28322 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C[C@@H]1N=C(O)[C@]23[C@H]1[C@H](C)C(C)=C[C@@H]2\C=C(C)\CC[C@@H](O)C(=O)[C@@H]1[C@H]2O[C@@H]([C@H]1C3=O)C1=C(C)C(O)=C(O)C(O)=C21

InChI Identifier

InChI=1S/C33H41NO8/c1-12(2)9-18-24-15(5)14(4)11-17-10-13(3)7-8-19(35)26(37)22-23(31(40)33(17,24)32(41)34-18)29-20-16(6)25(36)28(39)27(38)21(20)30(22)42-29/h10-12,15,17-19,22-24,29-30,35-36,38-39H,7-9H2,1-6H3,(H,34,41)/b13-10+/t15-,17+,18+,19-,22-,23+,24+,29-,30+,33+/m1/s1

InChI Key

KQRAUHDTXGNMBP-XGBDJWMISA-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
Aspergillus flavipes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Tetralins

Sub Class

Not Available

Direct Parent

Tetralins

Alternative Parents

Substituents

Tetralin
Isocoumaran
Isoindole or derivatives
Cyclic carboximidic acid
Tetrahydrofuran
Pyrroline
Secondary alcohol
Ketone
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Ether
Dialkyl ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
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

145721290

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione (NP0199125)

MOL for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

3D MOL for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

3D SDF for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

3D-SDF for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

PDB for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

3D PDB for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

SMILES for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

INCHI for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

Structure for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)

3D Structure for NP0199125 ((1s,2s,4r,7s,8r,9s,12s,13e,17r,19s,20r)-5,17,22,23,24-pentahydroxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.0²,¹⁹.0⁴,⁸.0⁴,¹².0²¹,²⁶]heptacosa-5,10,13,21,23,25-hexaene-3,18-dione)