NP-MRD: Showing NP-Card for (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (NP0248412)

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Record Information

Version

2.0

Created at

2022-09-07 10:40:23 UTC

Updated at

2022-09-07 10:40:23 UTC

NP-MRD ID

NP0248412

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

Description

(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one 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. Based on a literature review very few articles have been published on (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072212402D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072212402D          

 40 41  0  0  1  0            999 V2000
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   -0.5006   -2.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139   -0.9526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0513   -0.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775    0.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9878    1.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188    1.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923    2.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.7820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8344    2.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762    1.1618    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5906    1.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414    0.3805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9593    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -0.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671   -0.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126   -0.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022   -1.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790   -1.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978   -1.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579   -1.5729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2556   -2.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714   -2.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584    0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584    1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729    1.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  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
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 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  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 11 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
  5 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0248412

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1OC(=CC=C1C)C(\C)=C\[C@H](C)[C@H]1OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C\C(C)=C\C=C\[C@@H]1OC

> <INCHI_IDENTIFIER>
InChI=1S/C34H50O6/c1-11-28-23(4)15-16-29(39-28)24(5)20-27(8)33-30(37-9)14-12-13-21(2)17-25(6)32(35)26(7)18-22(3)19-31(38-10)34(36)40-33/h12-16,18-20,25-28,30,32-33,35H,11,17H2,1-10H3/b14-12+,21-13+,22-18+,24-20+,31-19-/t25-,26+,27-,28+,30-,32-,33+/m0/s1

> <INCHI_KEY>
JXMOXMDSHOTTME-XTFLBRMTSA-N

> <FORMULA>
C34H50O6

> <MOLECULAR_WEIGHT>
554.768

> <EXACT_MASS>
554.36073933

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
63.60978140353279

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

> <JCHEM_LOGP>
6.324771838666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.719033268394956

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7344768304456161

> <JCHEM_POLAR_SURFACE_AREA>
74.22000000000001

> <JCHEM_REFRACTIVITY>
169.2501

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3E)-4-[(6R)-6-ethyl-5-methyl-6H-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-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      -6.269   5.152   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.935   4.382   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.935   2.842   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.602   2.072   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -3.602   0.532   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.268  -0.238   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.934   0.532   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.268  -1.778   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.934  -2.548   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.934  -4.088   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.399  -1.778   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.096  -0.320   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.005   1.217   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.376   1.898   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.163   2.232   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.385   1.295   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.184  -0.232   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.844   3.613   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.381   3.513   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.582   1.986   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.839   4.008   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.220   3.326   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.158   4.548   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.236   2.169   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.569   2.939   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.731   0.710   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.257   0.911   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.630  -0.826   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.472  -1.842   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.250  -0.904   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.791  -3.223   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.254  -3.122   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.796  -3.617   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.415  -2.936   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.477  -4.158   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.067  -5.581   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.935  -0.238   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -6.269   0.532   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.269   2.072   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.603   2.842   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   37                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   34                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   11   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37    5   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38    3   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₅₀O₆

Average Mass

554.7680 Da

Monoisotopic Mass

554.36074 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@H]1OC(=CC=C1C)C(\C)=C\[C@H](C)[C@H]1OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C\C(C)=C\C=C\[C@@H]1OC

InChI Identifier

InChI=1S/C34H50O6/c1-11-28-23(4)15-16-29(39-28)24(5)20-27(8)33-30(37-9)14-12-13-21(2)17-25(6)32(35)26(7)18-22(3)19-31(38-10)34(36)40-33/h12-16,18-20,25-28,30,32-33,35H,11,17H2,1-10H3/b14-12+,21-13+,22-18+,24-20+,31-19-/t25-,26+,27-,28+,30-,32-,33+/m0/s1

InChI Key

JXMOXMDSHOTTME-XTFLBRMTSA-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
Pyran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Alcohol
Organooxygen compound
Organic oxygen compound
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

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

163191080

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (NP0248412)

MOL for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D MOL for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D SDF for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D-SDF for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

PDB for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D PDB for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

SMILES for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

INCHI for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

Structure for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D Structure for NP0248412 ((3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3e)-4-[(6r)-6-ethyl-5-methyl-6h-pyran-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)