NP-MRD: Showing NP-Card for 14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione (NP0218463)

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Record Information

Version

2.0

Created at

2022-09-05 19:08:10 UTC

Updated at

2022-09-05 19:08:10 UTC

NP-MRD ID

NP0218463

Secondary Accession Numbers

None

Natural Product Identification

Common Name

14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione

Description

14,27-Dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]Octacosa-9,17,19(24),20,25-pentaene-8,22-dione belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione is found in Kadsura coccinea. 14,27-Dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]Octacosa-9,17,19(24),20,25-pentaene-8,22-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004231517292D          

 37 43  0  0  0  0            999 V2000
    9.9256    2.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004231517292D          

 37 43  0  0  0  0            999 V2000
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    8.4965   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5739    0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3976    0.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8482    1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6720    1.0664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 25  1  0  0  0  0
 23 25  1  0  0  0  0
 11 26  1  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  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  1  0  0  0  0
  6 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  4 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  2 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0218463

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC2=CC3=C(C(O)CC4(C)C3CC3(O)C5OC55C=CC(=O)OC(C)(C)C5CCC43)C(C)=C2OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H34O7/c1-14-10-16-11-17-18-12-29(34)21(28(18,5)13-19(31)23(17)15(2)24(16)35-25(14)33)7-6-20-27(3,4)36-22(32)8-9-30(20)26(29)37-30/h8-11,18-21,26,31,34H,6-7,12-13H2,1-5H3

> <INCHI_KEY>
LHLZBWBHDQMMAW-UHFFFAOYSA-N

> <FORMULA>
C30H34O7

> <MOLECULAR_WEIGHT>
506.595

> <EXACT_MASS>
506.230453435

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
55.276528089631896

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione

> <ALOGPS_LOGP>
3.49

> <JCHEM_LOGP>
3.633327857

> <ALOGPS_LOGS>
-5.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.42402020275113

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.433883445966448

> <JCHEM_PKA_STRONGEST_BASIC>
-3.074903012543044

> <JCHEM_POLAR_SURFACE_AREA>
105.59

> <JCHEM_REFRACTIVITY>
136.46589999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0      18.528   4.738   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.687   3.448   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.149   3.531   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.308   2.241   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.770   2.324   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.929   1.034   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.391   1.118   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.424   2.316   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.986   1.767   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.184   3.294   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.063   0.229   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.909  -0.791   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.393  -0.524   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.655   0.828   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.173   0.410   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.910  -0.942   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.019  -0.610   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.922   1.308   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.844   2.846   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.425   3.443   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.998   3.866   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.515   3.599   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.252   2.247   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.632   3.740   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       7.735   2.665   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.550  -0.172   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.579  -1.367   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.247  -1.546   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.785  -1.629   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      13.481  -3.003   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      13.626  -0.339   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.163  -0.423   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.860  -1.796   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.005   0.867   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      17.542   0.784   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      18.383   2.074   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      19.921   1.991   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   34                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   31                                                  
CONECT    7    6    8   26                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11   25                                             
CONECT   10    9                                                            
CONECT   11    9   12   26                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   23                                                  
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   14   24   25                                             
CONECT   24   23   25                                                       
CONECT   25   24    9   23                                                  
CONECT   26   11    7   27   28                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    6   32                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32    4   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35    2   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₄O₇

Average Mass

506.5950 Da

Monoisotopic Mass

506.23045 Da

IUPAC Name

14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione

Traditional Name

14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione

CAS Registry Number

Not Available

SMILES

CC1=CC2=CC3=C(C(O)CC4(C)C3CC3(O)C5OC55C=CC(=O)OC(C)(C)C5CCC43)C(C)=C2OC1=O

InChI Identifier

InChI=1S/C30H34O7/c1-14-10-16-11-17-18-12-29(34)21(28(18,5)13-19(31)23(17)15(2)24(16)35-25(14)33)7-6-20-27(3,4)36-22(32)8-9-30(20)26(29)37-30/h8-11,18-21,26,31,34H,6-7,12-13H2,1-5H3

InChI Key

LHLZBWBHDQMMAW-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
Kadsura coccinea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Coumarin
Benzopyran
Naphthalene
Tetralin
1-benzopyran
Pyranone
Benzenoid
Pyran
Cyclic alcohol
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Tertiary alcohol
Enoate ester
Lactone
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Oxacycle
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxide
Organic oxygen compound
Carbonyl group
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	3.49	ALOGPS
logP	3.63	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	13.43	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	105.59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	136.47 m³·mol⁻¹	ChemAxon
Polarizability	55.28 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

74400397

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione (NP0218463)

MOL for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

3D MOL for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

3D SDF for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

3D-SDF for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

PDB for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

3D PDB for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

SMILES for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

INCHI for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

Structure for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)

3D Structure for NP0218463 (14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),18,20,24-pentaene-8,22-dione)