NP-MRD: Showing NP-Card for (1s,2r,5s,8r,9s,10r,12s,15r,24r,25s,27s,28s)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraen-23-one (NP0239421)

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Record Information

Version

2.0

Created at

2022-09-06 23:01:13 UTC

Updated at

2022-09-06 23:01:13 UTC

NP-MRD ID

NP0239421

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,5s,8r,9s,10r,12s,15r,24r,25s,27s,28s)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraen-23-one

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072201012D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072201012D          

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   -1.3021    4.1076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7363    3.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665    3.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036    4.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8694    3.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    4.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    3.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622    3.3845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312    3.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    3.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5885    4.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    4.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844    4.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    4.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683    5.4859    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5261    6.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047    6.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8398    7.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    7.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481    6.1443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8268    6.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435    5.4275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3208    5.3656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6084    4.7460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4311    4.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2506    4.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6460    3.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435    5.4672    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7777    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0251    5.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622    5.0876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3670    5.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0651    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    5.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    5.4982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4337    5.3084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9995    5.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 21  2  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
 30 19  1  6  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  2  0  0  0  0
 22 35  1  0  0  0  0
 11 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
  9 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
  6 40  1  0  0  0  0
 40 41  1  0  0  0  0
 42 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
  4 43  1  0  0  0  0
 43 44  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0239421

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1[C@H]2C[C@H]3[C@H]2C2=C4C(NC5=C4[C@@H](OC3(C)C)[C@@H]3CC[C@@]4(O)C67O[C@@H]6[C@@H](O)[C@H](O[C@H]7CC[C@]4(C)C53C)C(C)=C)=CC=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H45NO6/c1-15(2)29-28(40)32-37(44-32)22(42-29)11-12-34(6)35(7)19(10-13-36(34,37)41)30-26-25-21(38-31(26)35)9-8-17-24(25)23-18(16(3)27(17)39)14-20(23)33(4,5)43-30/h8-9,16,18-20,22-23,28-30,32,38,40-41H,1,10-14H2,2-7H3/t16-,18-,19+,20+,22+,23+,28+,29-,30+,32-,34-,35?,36+,37?/m1/s1

> <INCHI_KEY>
CAWZUZRJLGSYNE-HJZWANKUSA-N

> <FORMULA>
C37H45NO6

> <MOLECULAR_WEIGHT>
599.768

> <EXACT_MASS>
599.324688173

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
67.8988348542787

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,8R,9S,10R,12S,15R,24R,25S,27S,28S)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0^{2,16}.0^{5,15}.0^{6,8}.0^{6,12}.0^{17,31}.0^{19,30}.0^{22,29}.0^{25,28}]tritriaconta-17(31),19,21,29-tetraen-23-one

> <JCHEM_LOGP>
4.215832660666671

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.403207549084485

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.79508292058891

> <JCHEM_PKA_STRONGEST_BASIC>
-3.601193183451117

> <JCHEM_POLAR_SURFACE_AREA>
104.31

> <JCHEM_REFRACTIVITY>
163.824

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,8R,9S,10R,12S,15R,24R,25S,27S,28S)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0^{2,16}.0^{5,15}.0^{6,8}.0^{6,12}.0^{17,31}.0^{19,30}.0^{22,29}.0^{25,28}]tritriaconta-17(31),19,21,29-tetraen-23-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.540   9.200   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.484   8.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.927   6.605   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.986   8.434   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.929   7.313   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.431   7.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.374   6.547   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.124   6.901   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.567   8.376   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.623   7.255   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.065   8.730   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.261   7.203   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.332   7.854   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       4.223   6.318   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       5.658   6.606   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.826   5.602   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.279   6.111   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.565   7.624   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.398   8.628   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.944   8.119   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.557   8.787   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.048  10.240   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.715  11.628   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.169  12.137   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.301  13.409   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.173  13.305   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.556  11.469   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.010  11.978   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.601  10.131   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.065  10.016   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.469   8.859   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.005   8.975   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.801   7.471   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.539   6.120   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.508  10.205   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.452  11.326   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -0.047  10.972   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.489   9.497   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.685  11.024   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -1.988   9.143   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -1.546  10.618   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -3.044  10.263   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -4.543   9.909   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -5.599  11.030   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   43                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   40                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   38                                             
CONECT   10    9                                                            
CONECT   11    9   12   13   35                                             
CONECT   12   11                                                            
CONECT   13   11   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   33                                                  
CONECT   19   18   20   30                                                  
CONECT   20   19   15   21                                                  
CONECT   21   20   13   22                                                  
CONECT   22   21   23   35                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29   19   27                                                  
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   18   34                                                  
CONECT   34   33                                                            
CONECT   35   22   11   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37    9   39   40                                             
CONECT   39   38                                                            
CONECT   40   38    6   41   42                                             
CONECT   41   40   42                                                       
CONECT   42   41   40   43                                                  
CONECT   43   42    4   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₄₅NO₆

Average Mass

599.7680 Da

Monoisotopic Mass

599.32469 Da

IUPAC Name

(1S,2R,5S,8R,9S,10R,12S,15R,24R,25S,27S,28S)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0^{2,16}.0^{5,15}.0^{6,8}.0^{6,12}.0^{17,31}.0^{19,30}.0^{22,29}.0^{25,28}]tritriaconta-17(31),19,21,29-tetraen-23-one

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@@H]1[C@H]2C[C@H]3[C@H]2C2=C4C(NC5=C4[C@@H](OC3(C)C)[C@@H]3CC[C@@]4(O)C67O[C@@H]6[C@@H](O)[C@H](O[C@H]7CC[C@]4(C)C53C)C(C)=C)=CC=C2C1=O

InChI Identifier

InChI=1S/C37H45NO6/c1-15(2)29-28(40)32-37(44-32)22(42-29)11-12-34(6)35(7)19(10-13-36(34,37)41)30-26-25-21(38-31(26)35)9-8-17-24(25)23-18(16(3)27(17)39)14-20(23)33(4,5)43-30/h8-9,16,18-20,22-23,28-30,32,38,40-41H,1,10-14H2,2-7H3/t16-,18-,19+,20+,22+,23+,28+,29-,30+,32-,34-,35?,36+,37?/m1/s1

InChI Key

CAWZUZRJLGSYNE-HJZWANKUSA-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 sulphureus	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	4.22	ChemAxon
pKa (Strongest Acidic)	12.8	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.31 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	163.82 m³·mol⁻¹	ChemAxon
Polarizability	67.9 Å³	ChemAxon
Number of Rings	10	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

MOL for NP0239421 ((1s,2r,5s,8r,9s,10r,12s,15r,24r,25s,27s,28s)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraen-23-one)

PDB for NP0239421 ((1s,2r,5s,8r,9s,10r,12s,15r,24r,25s,27s,28s)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraen-23-one)

INCHI for NP0239421 ((1s,2r,5s,8r,9s,10r,12s,15r,24r,25s,27s,28s)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraen-23-one)