NP-MRD: Showing NP-Card for (6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate (NP0302194)

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Record Information

Version

2.0

Created at

2022-09-10 15:35:17 UTC

Updated at

2022-09-10 15:35:18 UTC

NP-MRD ID

NP0302194

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate

Description

Not Available

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102217352D          

 49 52  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309102217352D          

 49 52  0  0  1  0            999 V2000
    8.4641   -0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7973   -0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5761    0.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0580    1.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3518    0.6244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6865   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5592    0.3902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6898   -0.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7349    0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947    0.9285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6074    1.5230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1865    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8044    1.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581    2.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155    3.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    4.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    4.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254    3.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    2.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    2.2198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8926    2.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5300    4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1407    3.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138    4.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    5.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1466    5.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7071    6.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4423    6.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669    7.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    6.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1507    6.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    6.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5324    5.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9661    4.8107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7201    5.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2003    4.0156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0154    4.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2205    3.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0408    3.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0257    2.3825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7953    2.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6291    1.6554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2957    1.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3415    5.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411    5.6902    0.0000 O   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  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  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  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  6  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 30  1  4  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  1  1  0  0  0
 30 48  1  0  0  0  0
 21 48  1  0  0  0  0
 48 49  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0302194

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1\C=C/C=C\C(O)=NC2=C(C)C(=O)C3=C4[C@H](O)[C@@](C)(OC4=C(C)C(O)=C3C2=O)O\C=C/[C@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H45NO12/c1-15-11-9-10-12-23(40)37-27-17(3)30(43)24-25(32(27)45)31(44)20(6)34-26(24)35(46)36(8,49-34)47-14-13-22(39)16(2)33(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-16,18-19,22,28-29,33,35,39,41-42,44,46H,1-8H3,(H,37,40)/b11-9-,12-10-,14-13-/t15-,16+,18+,19+,22-,28-,29+,33+,35-,36+/m0/s1

> <INCHI_KEY>
QWIHJIQXNOWSHR-KCEVLOSQSA-N

> <FORMULA>
C36H45NO12

> <MOLECULAR_WEIGHT>
683.751

> <EXACT_MASS>
683.294175893

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
70.64308053201812

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate

> <JCHEM_LOGP>
3.1223824323333322

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.639375123941365

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.38724537478592

> <JCHEM_PKA_STRONGEST_BASIC>
0.7868949079348256

> <JCHEM_POLAR_SURFACE_AREA>
212.63999999999996

> <JCHEM_REFRACTIVITY>
182.0108

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      15.800  -0.903   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.321  -0.665   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      18.288  -1.863   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      17.875   0.772   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      16.908   1.971   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.590   1.166   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.215  -0.242   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.111   0.728   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.354  -0.792   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      12.572   0.682   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.072   1.031   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.697   1.733   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.600   2.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.815   1.519   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.102   3.273   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.040   4.852   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.862   5.874   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.402   5.385   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.189   7.411   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.003   8.394   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.650   8.023   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.821   6.977   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.512   5.389   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.460   4.144   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.999   4.195   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      10.323   7.476   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      11.463   6.441   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      10.666   8.978   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.152   9.381   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.607  10.106   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      10.653  11.368   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      12.026  12.201   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      11.511  13.653   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      13.623  12.418   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      15.215  12.120   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.656  11.374   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      17.794  10.302   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      18.603   8.980   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      20.011   9.605   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      19.041   7.496   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      20.562   7.734   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      19.078   5.950   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      20.610   5.786   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      18.715   4.447   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      20.151   3.893   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      17.974   3.090   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      19.219   2.183   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       8.104   9.565   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       6.983  10.622   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   46                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   24                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   48                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   16   24                                                  
CONECT   24   23   13   25                                                  
CONECT   25   24                                                            
CONECT   26   22   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   48                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44    5   47                                                  
CONECT   47   46                                                            
CONECT   48   30   21   49                                                  
CONECT   49   48                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₅NO₁₂

Average Mass

683.7510 Da

Monoisotopic Mass

683.29418 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1\C=C/C=C\C(O)=NC2=C(C)C(=O)C3=C4[C@H](O)[C@@](C)(OC4=C(C)C(O)=C3C2=O)O\C=C/[C@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O

InChI Identifier

InChI=1S/C36H45NO12/c1-15-11-9-10-12-23(40)37-27-17(3)30(43)24-25(32(27)45)31(44)20(6)34-26(24)35(46)36(8,49-34)47-14-13-22(39)16(2)33(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-16,18-19,22,28-29,33,35,39,41-42,44,46H,1-8H3,(H,37,40)/b11-9-,12-10-,14-13-/t15-,16+,18+,19+,22-,28-,29+,33+,35-,36+/m0/s1

InChI Key

QWIHJIQXNOWSHR-KCEVLOSQSA-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

Not Available

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

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate (NP0302194)

MOL for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

3D MOL for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

3D SDF for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

3D-SDF for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

PDB for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

3D PDB for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

SMILES for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

INCHI for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

Structure for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)

3D Structure for NP0302194 ((6s,7r,9e,11s,12r,13r,14r,15r,16r,17s,18s,19e,21z)-2,6,11,15,17,23-hexahydroxy-3,7,12,14,16,18,26-heptamethyl-27,29-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate)