NP-MRD: Showing NP-Card for 13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one (NP0240779)

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Record Information

Version

2.0

Created at

2022-09-07 00:41:10 UTC

Updated at

2022-09-07 00:41:10 UTC

NP-MRD ID

NP0240779

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one

Description

13-Ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]Heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. 13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one is found in Neonectria candida. 13-Ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]Heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201502492D          

 36 41  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004201502492D          

 36 41  0  0  0  0            999 V2000
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    1.0081   -2.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672   -2.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227   -3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4809    0.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  4  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  7 31  1  0  0  0  0
 23 31  1  0  0  0  0
 30 32  1  0  0  0  0
  6 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  2 34  1  0  0  0  0
 12 35  1  0  0  0  0
 35 36  2  0  0  0  0
  9 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0240779

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(C)C2C3OC4=CC=C(CC5(O)NC(=O)C(=C5)C(=O)C5C3C(C(C)=CC5C=C)C2(C)C1)C=C4

> <INCHI_IDENTIFIER>
InChI=1S/C31H37NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,15-17,20,23-26,28,35H,1,11,13-14H2,2-5H3,(H,32,34)

> <INCHI_KEY>
KXMGXXHZDLJDBH-UHFFFAOYSA-N

> <FORMULA>
C31H37NO4

> <MOLECULAR_WEIGHT>
487.64

> <EXACT_MASS>
487.272258675

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
54.0470065568625

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),21,24-pentaene-15,17-dione

> <ALOGPS_LOGP>
4.10

> <JCHEM_LOGP>
5.126558378333334

> <ALOGPS_LOGS>
-5.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.336115570711748

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.597149561376362

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4878165538380412

> <JCHEM_POLAR_SURFACE_AREA>
75.63

> <JCHEM_REFRACTIVITY>
140.91529999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.33e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),21,24-pentaene-15,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -4.740  -3.913   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.242  -3.555   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.803  -2.079   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.306  -1.721   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.867  -0.245   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.247  -2.839   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.311  -2.810   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.195  -1.186   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.058   0.172   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.027  -1.041   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.549  -0.903   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.276   0.448   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.688  -0.373   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.506  -1.797   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.745  -0.883   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       8.588  -2.959   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       7.947  -4.387   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.702  -5.729   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.402  -4.195   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.217  -2.647   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.980  -4.916   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.383  -6.402   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.371  -5.013   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.429  -6.569   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.807  -7.257   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.900  -8.794   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.157  -7.453   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.757  -6.787   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.504  -7.672   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.606  -5.225   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.882  -4.314   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.685  -4.315   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.976  -5.828   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.183  -4.673   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.304   1.694   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.764   1.576   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   32                                                  
CONECT    7    6    8   31                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   36                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   35                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16   20                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19   14                                                       
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   31                                                  
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30    7   23                                                  
CONECT   32   30    6   33   34                                             
CONECT   33   32                                                            
CONECT   34   32    2                                                       
CONECT   35   12   36                                                       
CONECT   36   35    9                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₇NO₄

Average Mass

487.6400 Da

Monoisotopic Mass

487.27226 Da

IUPAC Name

13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),21,24-pentaene-15,17-dione

Traditional Name

13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),21,24-pentaene-15,17-dione

CAS Registry Number

Not Available

SMILES

CC1CC(C)C2C3OC4=CC=C(CC5(O)NC(=O)C(=C5)C(=O)C5C3C(C(C)=CC5C=C)C2(C)C1)C=C4

InChI Identifier

InChI=1S/C31H37NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,15-17,20,23-26,28,35H,1,11,13-14H2,2-5H3,(H,32,34)

InChI Key

KXMGXXHZDLJDBH-UHFFFAOYSA-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
Neonectria candida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Alkyl aryl ether
Benzenoid
Pyrroline
Carboxamide group
Ketone
Lactam
Secondary carboxylic acid amide
Alkanolamine
Carboxylic acid derivative
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	4.1	ALOGPS
logP	5.13	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	10.6	ChemAxon
pKa (Strongest Basic)	-1.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.63 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	140.92 m³·mol⁻¹	ChemAxon
Polarizability	54.05 Å³	ChemAxon
Number of Rings	6	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

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

10458166

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one (NP0240779)

MOL for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

3D MOL for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

3D SDF for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

3D-SDF for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

PDB for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

3D PDB for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

SMILES for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

INCHI for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

Structure for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)

3D Structure for NP0240779 (13-ethenyl-17,19-dihydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.1³,¹⁰.1¹⁶,¹⁹.0⁴,⁹.0¹⁴,²⁷]heptacosa-1(23),11,16(26),17,21,24-hexaen-15-one)