NP-MRD: Showing NP-Card for (12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate (NP0286293)

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Record Information

Version

2.0

Created at

2022-09-09 14:48:28 UTC

Updated at

2022-09-09 14:48:29 UTC

NP-MRD ID

NP0286293

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate

Description

Patellazole B belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. (12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate is found in Lissoclinum patella. (12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate was first documented in 2018 (PMID: 30209471). Based on a literature review very few articles have been published on Patellazole B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092216482D          

 63 65  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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  3 62  1  0  0  0  0
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M  END

     RDKit          3D

140142  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309092216482D          

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M  END
> <DATABASE_ID>
NP0286293

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(O)C(O)C(C)C\C=C/C(C)C(=O)C(C)C(O)CC(C)CCC(C)(OC(=O)C(C)C(C)O)C(=O)OC(C(C)\C=C\C=C1/C)C(C)(O)\C=C(\C)CC1=CSC(=N1)C1(C)OC1C

> <INCHI_IDENTIFIER>
InChI=1S/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3/b17-15-,20-16+,28-25-,31-19+

> <INCHI_KEY>
YAVOPZRQLVNNOF-SADQWLRDSA-N

> <FORMULA>
C49H77NO12S

> <MOLECULAR_WEIGHT>
904.21

> <EXACT_MASS>
903.516648097

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
100.98809636359007

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(12Z,19E,21E)-24-[(3Z)-4-{[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]methyl}-2-hydroxypent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate

> <JCHEM_LOGP>
7.112572056333335

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.65892803937989

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.956785224617306

> <JCHEM_PKA_STRONGEST_BASIC>
1.2650207012893713

> <JCHEM_POLAR_SURFACE_AREA>
205.47

> <JCHEM_REFRACTIVITY>
246.57040000000012

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(12Z,19E,21E)-24-[(3Z)-4-{[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]methyl}-2-hydroxypent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.527  -1.654   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.537  -2.834   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.021  -2.566   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.494  -1.119   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.977  -0.852   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.484   0.061   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.957   1.508   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.947   2.687   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.420   4.135   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.410   5.314   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.904   4.402   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.894   5.582   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.388   5.954   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.714   6.572   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -5.883   6.761   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.400   6.494   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.390   7.674   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -7.927   5.047   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.443   4.779   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -10.119   3.395   0.000  0.00  0.00           C+0
HETATM   21  S   UNK     0     -11.644   3.610   0.000  0.00  0.00           S+0
HETATM   22  C   UNK     0     -11.911   5.126   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -13.295   5.801   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -12.871   7.282   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0     -14.200   4.555   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0     -14.827   5.962   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -16.073   6.867   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0     -10.551   5.849   0.000  0.00  0.00           N+0
HETATM   29  O   UNK     0      -3.377   5.849   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.860   6.117   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.334   7.564   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.870   4.937   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.119   6.117   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.463   4.167   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.797   4.937   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.797   6.477   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       3.131   4.167   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.131   2.627   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.464   4.937   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.464   6.477   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       5.798   4.167   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -1.397   3.490   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.407   2.310   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -0.934   0.863   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -2.451   0.595   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.056  -0.317   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -0.471  -1.764   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -1.987  -2.031   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       0.519  -2.944   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.036  -2.676   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -0.008  -4.391   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -1.524  -4.658   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       0.982  -5.571   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       2.499  -5.303   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       0.456  -7.018   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -1.061  -7.285   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -2.051  -6.105   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -3.568  -6.373   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -4.094  -7.820   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -4.557  -5.193   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      -6.074  -5.460   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      -4.031  -3.746   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      -2.514  -3.479   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   62                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   29                                                  
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   23   27                                                  
CONECT   27   26                                                            
CONECT   28   22   19                                                       
CONECT   29   11   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34   42                                             
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   32   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60    3   63                                                  
CONECT   63   62                                                            
MASTER        0    0    0    0    0    0    0    0   63    0  130    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₉H₇₇NO₁₂S

Average Mass

904.2100 Da

Monoisotopic Mass

903.51665 Da

IUPAC Name

(12Z,19E,21E)-24-[(3Z)-4-{[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]methyl}-2-hydroxypent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1C(O)C(O)C(C)C\C=C/C(C)C(=O)C(C)C(O)CC(C)CCC(C)(OC(=O)C(C)C(C)O)C(=O)OC(C(C)\C=C\C=C1/C)C(C)(O)\C=C(\C)CC1=CSC(=N1)C1(C)OC1C

InChI Identifier

InChI=1S/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3/b17-15-,20-16+,28-25-,31-19+

InChI Key

YAVOPZRQLVNNOF-SADQWLRDSA-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
Lissoclinum patella	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Sesterterpenoids

Alternative Parents

Substituents

Sesterterpenoid
Macrolide
2,4-disubstituted 1,3-thiazole
Beta-hydroxy acid
Fatty acid ester
Hydroxy acid
Fatty acyl
Dicarboxylic acid or derivatives
Azole
Thiazole
Tertiary alcohol
Heteroaromatic compound
Cyclic ketone
Carboxylic acid ester
Secondary alcohol
Lactone
Ketone
Carboxylic acid derivative
Dialkyl ether
Oxacycle
Oxirane
Ether
Azacycle
Organoheterocyclic compound
Polyol
Alcohol
Organic oxygen compound
Organic oxide
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	7.11	ChemAxon
pKa (Strongest Acidic)	12.96	ChemAxon
pKa (Strongest Basic)	1.27	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	205.47 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	246.57 m³·mol⁻¹	ChemAxon
Polarizability	100.99 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

4533264

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5386505

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Phillips AW, Anketell MJ, Balan T, Lam NYS, Williams S, Paterson I: Toward the total synthesis of patellazole B: synthesis of an advanced C1-C25 fragment corresponding to the macrocyclic skeleton. Org Biomol Chem. 2018 Sep 26;16(37):8286-8291. doi: 10.1039/c8ob01621f. [PubMed:30209471 ]
LOTUS database [Link]

Showing NP-Card for (12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate (NP0286293)

MOL for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

3D MOL for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

3D SDF for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

3D-SDF for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

PDB for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

3D PDB for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

SMILES for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

INCHI for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

Structure for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)

3D Structure for NP0286293 ((12z,19e,21e)-24-[(3z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate)