NP-MRD: Showing NP-Card for (32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate (NP0298005)

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Record Information

Version

2.0

Created at

2022-09-10 08:52:16 UTC

Updated at

2022-09-10 08:52:16 UTC

NP-MRD ID

NP0298005

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate

Description

Amantelide B belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate was first documented in 2021 (PMID: 33527693). Based on a literature review very few articles have been published on Amantelide B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102210522D          

 58 58  0  0  1  0            999 V2000
    4.8490    7.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276    6.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821    5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0517    6.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8758    6.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999    6.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784    5.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6329    4.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8088    4.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0115    4.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5659    3.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445    2.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4990    1.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6749    1.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8776    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4320    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6767   -3.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  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  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
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 44 45  1  4  0  0  0
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 57 58  1  0  0  0  0
  5 58  1  0  0  0  0
M  END

     RDKit          3D

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 52133  1  0
 52134  1  0
M  END


  Mrv1652309102210522D          

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M  END
> <DATABASE_ID>
NP0298005

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCCC(C)=CC(=O)OC(CC(O)CCC1)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C46H86O12/c1-33-14-6-25-40(53)31-41(54)26-11-23-38(51)21-9-19-36(49)17-7-15-35(48)16-8-18-37(50)20-10-22-39(52)24-12-28-43(57-34(2)47)29-13-27-42(55)32-44(46(3,4)5)58-45(56)30-33/h30,35-44,48-55H,6-29,31-32H2,1-5H3/t35?,36?,37?,38?,39?,40-,41+,42?,43?,44?/m0/s1

> <INCHI_KEY>
ZNTCNTCXAOQVBB-RYKDMCJLSA-N

> <FORMULA>
C46H86O12

> <MOLECULAR_WEIGHT>
831.182

> <EXACT_MASS>
830.611928209

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
144

> <JCHEM_AVERAGE_POLARIZABILITY>
97.86501193142962

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(32R,34S)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate

> <JCHEM_LOGP>
5.681114426666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.20803474882904

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.69997581946031

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5759016220907561

> <JCHEM_POLAR_SURFACE_AREA>
214.43999999999997

> <JCHEM_REFRACTIVITY>
228.62070000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(32R,34S)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-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       9.051  13.220   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.758  11.852   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.926  10.556   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      11.296  11.780   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.003  10.412   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.835  11.708   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.373  11.636   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.080  10.267   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.248   8.971   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.710   9.043   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      14.955   7.603   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.123   6.307   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.830   4.938   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.998   3.642   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.460   3.715   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      14.705   2.274   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.873   0.978   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.580  -0.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.748  -1.687   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.210  -1.614   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.455  -3.055   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.623  -4.351   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.330  -5.719   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.498  -7.015   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      11.960  -6.943   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      14.205  -8.384   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.373  -9.680   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.080 -11.048   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.248 -12.344   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      13.955 -13.713   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      11.710 -12.272   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.003 -10.904   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.465 -10.832   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.758  -9.463   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.220  -9.391   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.590  -8.167   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.883  -6.799   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.345  -6.727   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       9.715  -5.503   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.008  -4.134   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.840  -2.838   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.133  -1.470   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.595  -1.398   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       9.965  -0.174   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       9.258   1.194   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       7.720   1.267   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0      10.090   2.491   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       9.383   3.859   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       7.845   3.931   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       6.307   4.003   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       7.917   5.469   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       7.773   2.393   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      10.215   5.155   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       9.508   6.523   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       7.970   6.595   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      10.340   7.819   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       9.633   9.188   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      10.465  10.484   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   58                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49   53                                                  
CONECT   49   48   50   51   52                                             
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   49                                                            
CONECT   53   48   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57    5                                                       
MASTER        0    0    0    0    0    0    0    0   58    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₆H₈₆O₁₂

Average Mass

831.1820 Da

Monoisotopic Mass

830.61193 Da

IUPAC Name

(32R,34S)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate

Traditional Name

(32R,34S)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCCC(C)=CC(=O)OC(CC(O)CCC1)C(C)(C)C

InChI Identifier

InChI=1S/C46H86O12/c1-33-14-6-25-40(53)31-41(54)26-11-23-38(51)21-9-19-36(49)17-7-15-35(48)16-8-18-37(50)20-10-22-39(52)24-12-28-43(57-34(2)47)29-13-27-42(55)32-44(46(3,4)5)58-45(56)30-33/h30,35-44,48-55H,6-29,31-32H2,1-5H3/t35?,36?,37?,38?,39?,40-,41+,42?,43?,44?/m0/s1

InChI Key

ZNTCNTCXAOQVBB-RYKDMCJLSA-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

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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
logP	5.68	ChemAxon
pKa (Strongest Acidic)	14.7	ChemAxon
pKa (Strongest Basic)	-0.58	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	214.44 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	228.62 m³·mol⁻¹	ChemAxon
Polarizability	97.87 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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

122182609

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Elsadek LA, Matthews JH, Nishimura S, Nakatani T, Ito A, Gu T, Luo D, Salvador-Reyes LA, Paul VJ, Kakeya H, Luesch H: Genomic and Targeted Approaches Unveil the Cell Membrane as a Major Target of the Antifungal Cytotoxin Amantelide A. Chembiochem. 2021 May 14;22(10):1790-1799. doi: 10.1002/cbic.202000685. Epub 2021 Mar 23. [PubMed:33527693 ]
LOTUS database [Link]

Showing NP-Card for (32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate (NP0298005)

MOL for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

3D MOL for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

3D SDF for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

3D-SDF for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

PDB for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

3D PDB for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

SMILES for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

INCHI for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

Structure for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)

3D Structure for NP0298005 ((32r,34s)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl acetate)