NP-MRD: Showing NP-Card for 3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one (NP0283025)

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Record Information

Version

2.0

Created at

2022-09-09 10:06:24 UTC

Updated at

2022-09-09 10:06:24 UTC

NP-MRD ID

NP0283025

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one

Description

3,21,23-Trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]Nonacosa-5,16,18,22,28-pentaen-24-one belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. 3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one is found in Neonectria candida. 3,21,23-Trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]Nonacosa-5,16,18,22,28-pentaen-24-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171513042D          

 37 43  0  0  0  0            999 V2000
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M  END

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M  END


  Mrv1533004171513042D          

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    4.7503    0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816   -0.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7249    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3977    1.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718    0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001    1.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550    0.0728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -2.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070   -2.4073    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  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  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  2  0  0  0  0
 25 30  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  2 32  1  0  0  0  0
 17 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 14 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 37  2  0  0  0  0
  9 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0283025

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(C)C2C3OC4=CC=C(CC5(O)CC6(CC(O)C7C=C(C)C(C3C7C6=O)C2(C)C1)C(=O)N5)C=C4

> <INCHI_IDENTIFIER>
InChI=1S/C31H39NO5/c1-15-9-16(2)25-26-23-22-20(10-17(3)24(23)29(25,4)11-15)21(33)13-30(27(22)34)14-31(36,32-28(30)35)12-18-5-7-19(37-26)8-6-18/h5-8,10,15-16,20-26,33,36H,9,11-14H2,1-4H3,(H,32,35)

> <INCHI_KEY>
HECJLRHOFZNKOS-UHFFFAOYSA-N

> <FORMULA>
C31H39NO5

> <MOLECULAR_WEIGHT>
505.655

> <EXACT_MASS>
505.28282336

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.30459939435791

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,21-dihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,28-tetraene-23,24-dione

> <ALOGPS_LOGP>
2.75

> <JCHEM_LOGP>
3.534504675333333

> <ALOGPS_LOGS>
-5.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.6793673018927

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.638040735217787

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8796448679844353

> <JCHEM_POLAR_SURFACE_AREA>
95.85999999999999

> <JCHEM_REFRACTIVITY>
139.94999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.33e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,21-dihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,28-tetraene-23,24-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      18.270   1.381   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.794   0.941   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.436  -0.556   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.960  -0.996   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.602  -2.493   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.842   0.063   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.294  -0.079   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      12.240  -1.713   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      11.329  -3.053   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.368  -1.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.849  -2.013   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.137  -3.384   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.818  -2.448   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.327  -0.897   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.039  -1.741   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.570   0.056   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.336   1.637   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.259   3.245   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.478   4.228   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.254   5.752   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.937   3.631   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.198   4.568   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.634   3.972   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.844   4.924   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.877   2.420   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.658   1.432   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.169   2.084   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.867   1.216   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       9.112  -0.305   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      14.200   1.561   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.420   3.085   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.676   2.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.734   1.580   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.854   2.844   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0       5.143   0.136   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       9.085  -4.648   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.653  -4.494   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   32                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   30                                                  
CONECT    7    6    8   26                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   37                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   36                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16   35                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   28   33                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   30                                                  
CONECT   26   25    7   27                                                  
CONECT   27   26   21   28                                                  
CONECT   28   27   17   29                                                  
CONECT   29   28                                                            
CONECT   30   25    6   31   32                                             
CONECT   31   30                                                            
CONECT   32   30    2                                                       
CONECT   33   17   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   14                                                       
CONECT   36   12   37                                                       
CONECT   37   36    9                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₉NO₅

Average Mass

505.6550 Da

Monoisotopic Mass

505.28282 Da

IUPAC Name

3,21-dihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,28-tetraene-23,24-dione

Traditional Name

3,21-dihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,28-tetraene-23,24-dione

CAS Registry Number

Not Available

SMILES

CC1CC(C)C2C3OC4=CC=C(CC5(O)CC6(CC(O)C7C=C(C)C(C3C7C6=O)C2(C)C1)C(=O)N5)C=C4

InChI Identifier

InChI=1S/C31H39NO5/c1-15-9-16(2)25-26-23-22-20(10-17(3)24(23)29(25,4)11-15)21(33)13-30(27(22)34)14-31(36,32-28(30)35)12-18-5-7-19(37-26)8-6-18/h5-8,10,15-16,20-26,33,36H,9,11-14H2,1-4H3,(H,32,35)

InChI Key

HECJLRHOFZNKOS-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 prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Prostaglandins and related compounds

Alternative Parents

Substituents

Prostaglandin skeleton
Alkyl aryl ether
Benzenoid
Cyclic alcohol
Pyrroline
Cyclic carboximidic acid
Ketone
Secondary alcohol
Alkanolamine
Ether
Polyol
Oxacycle
Azacycle
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Alcohol
Organopnictogen 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	2.75	ALOGPS
logP	3.53	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	10.64	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	95.86 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	139.95 m³·mol⁻¹	ChemAxon
Polarizability	55.3 Å³	ChemAxon
Number of Rings	7	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one (NP0283025)

MOL for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

3D MOL for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

3D SDF for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

3D-SDF for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

PDB for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

3D PDB for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

SMILES for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

INCHI for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

Structure for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)

3D Structure for NP0283025 (3,21,23-trihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.2¹⁶,¹⁹.1¹,²¹.0⁴,²⁵.0⁷,²⁶.0⁸,¹³]nonacosa-5,16,18,22,28-pentaen-24-one)