NP-MRD: Showing NP-Card for 8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone (NP0260641)

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Record Information

Version

2.0

Created at

2022-09-08 02:52:05 UTC

Updated at

2022-09-08 02:52:06 UTC

NP-MRD ID

NP0260641

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone

Description

8-(Hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]Hexacosane-23,2'-oxolane]-2,5',12,20-tetrone 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. 8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone is found in Schisandra grandiflora. Based on a literature review very few articles have been published on 8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]Hexacosane-23,2'-oxolane]-2,5',12,20-tetrone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082204522D          

 40 48  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309082204522D          

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   -0.5535    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263    0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392   -0.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8344    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3405    1.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    2.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341    2.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    3.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    3.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502    3.9428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097    2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939    2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775    2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8841    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4886    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612    2.2679    0.0000 O   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
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 21  1  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 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
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 38  1  0  0  0  0
 11 38  1  0  0  0  0
 38 39  1  0  0  0  0
  9 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0260641

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC2(OC1=O)OC13OC4(CCC5(C)C1C2C(C)C5=O)CC12OC(=O)CC1OC(C)(CO)C2CC1OC41C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H34O11/c1-12-9-27(38-21(12)33)18-13(2)20(32)23(3)5-6-25-10-26-14(24(4,11-30)35-15(26)8-17(31)37-26)7-16-28(25,36-16)22(34)29(39-25,40-27)19(18)23/h12-16,18-19,30H,5-11H2,1-4H3

> <INCHI_KEY>
BUPVNIVIQIJHNI-UHFFFAOYSA-N

> <FORMULA>
C29H34O11

> <MOLECULAR_WEIGHT>
558.58

> <EXACT_MASS>
558.210111915

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
56.43207284094774

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1^{1,19}.0^{3,5}.0^{3,16}.0^{7,14}.0^{10,14}.0^{22,26}]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone

> <JCHEM_LOGP>
2.0280968629999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.903209509251074

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.359608663029483

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0783614966101434

> <JCHEM_POLAR_SURFACE_AREA>
147.19

> <JCHEM_REFRACTIVITY>
129.4708

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1^{1,19}.0^{3,5}.0^{3,16}.0^{7,14}.0^{10,14}.0^{22,26}]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      11.433   0.065   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.043   0.728   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.689  -0.006   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.573   1.054   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.236   2.444   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.763   2.242   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.823   3.359   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       6.454   2.132   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.981   1.498   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.521   1.359   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.156   1.554   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.955  -0.122   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.917  -1.415   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.522  -1.411   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.920  -2.829   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.624  -2.557   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.327  -4.068   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.051  -1.925   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.383  -2.698   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.891  -0.358   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.358  -0.071   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.537   1.380   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.884   2.213   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.033   0.583   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.476   0.002   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -2.873  -1.486   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -3.424   1.209   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.502   2.454   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -3.004   3.925   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.744   4.791   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.722   5.980   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.644   5.868   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -1.027   7.360   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.578   3.791   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.549   4.823   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.011   4.466   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.517   4.520   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.779   3.108   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.421   2.998   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.341   4.233   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8   20                                             
CONECT    5    4    6                                                       
CONECT    6    5    2    7                                                  
CONECT    7    6                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10   21   39                                             
CONECT   10    9   11                                                       
CONECT   11   10   12   22   38                                             
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   21                                             
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18    4   21                                                  
CONECT   21   20   14    9                                                  
CONECT   22   11   23                                                       
CONECT   23   22   24   28   34                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   23   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32   34                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32                                                            
CONECT   34   30   23   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36   38                                                       
CONECT   38   37   36   11   39                                             
CONECT   39   38    9   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₄O₁₁

Average Mass

558.5800 Da

Monoisotopic Mass

558.21011 Da

IUPAC Name

8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1^{1,19}.0^{3,5}.0^{3,16}.0^{7,14}.0^{10,14}.0^{22,26}]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone

Traditional Name

8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1^{1,19}.0^{3,5}.0^{3,16}.0^{7,14}.0^{10,14}.0^{22,26}]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone

CAS Registry Number

Not Available

SMILES

CC1CC2(OC1=O)OC13OC4(CCC5(C)C1C2C(C)C5=O)CC12OC(=O)CC1OC(C)(CO)C2CC1OC41C3=O

InChI Identifier

InChI=1S/C29H34O11/c1-12-9-27(38-21(12)33)18-13(2)20(32)23(3)5-6-25-10-26-14(24(4,11-30)35-15(26)8-17(31)37-26)7-16-28(25,36-16)22(34)29(39-25,40-27)19(18)23/h12-16,18-19,30H,5-11H2,1-4H3

InChI Key

BUPVNIVIQIJHNI-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
Schisandra grandiflora	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
Furofuran
Ketal
Oxepane
Dicarboxylic acid or derivatives
3-furanone
Gamma butyrolactone
Monosaccharide
Oxolane
Carboxylic acid ester
Ketone
Lactone
Oxacycle
Ether
Oxirane
Dialkyl ether
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Aldehyde
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
Primary alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	2.03	ChemAxon
pKa (Strongest Acidic)	14.36	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	147.19 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	129.47 m³·mol⁻¹	ChemAxon
Polarizability	56.43 Å³	ChemAxon
Number of Rings	9	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

75034294

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone (NP0260641)

MOL for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

3D MOL for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

3D SDF for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

3D-SDF for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

PDB for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

3D PDB for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

SMILES for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

INCHI for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

Structure for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)

3D Structure for NP0260641 (8-(hydroxymethyl)-4',8,19,21-tetramethyl-4,9,13,24,25-pentaoxaspiro[octacyclo[14.8.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²²,²⁶]hexacosane-23,2'-oxolane]-2,5',12,20-tetrone)