NP-MRD: Showing NP-Card for 4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol (NP0226945)

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Record Information

Version

2.0

Created at

2022-09-06 06:08:25 UTC

Updated at

2022-09-06 06:08:25 UTC

NP-MRD ID

NP0226945

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol

Description

4-[5,5''-Bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5H,5''H-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]Dodecane-11',2''-furan]-1'(9'),2',7'-trien-8'-yl]phenol belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton. 4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol is found in Tapinella atrotomentosa. 4-[5,5''-Bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5H,5''H-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]Dodecane-11',2''-furan]-1'(9'),2',7'-trien-8'-yl]phenol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004231517552D          

 40 46  0  0  0  0            999 V2000
    9.4178    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642    1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5779    1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9967    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2121    2.0710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2423    3.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    3.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2423    2.0710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    1.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2441    2.0710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2742    2.0710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6 39  1  0  0  0  0
 39 40  2  0  0  0  0
  4 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004231517552D          

 40 46  0  0  0  0            999 V2000
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    4.0287   -0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2121    3.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9967    3.1510    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
  2  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  2  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 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  2  0  0  0  0
 25 31  1  0  0  0  0
 11 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 32 38  1  0  0  0  0
  6 39  1  0  0  0  0
 39 40  2  0  0  0  0
  4 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0226945

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)C1OC2(OC3=C(O2)C(=C2OC4(OC(C=C4)C(C)O)OC2=C3C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O10/c1-15(31)21-11-13-29(35-21)37-25-23(17-3-7-19(33)8-4-17)27-28(40-30(39-27)14-12-22(36-30)16(2)32)24(26(25)38-29)18-5-9-20(34)10-6-18/h3-16,21-22,31-34H,1-2H3

> <INCHI_KEY>
BSYSLLOYYVSZSS-UHFFFAOYSA-N

> <FORMULA>
C30H26O10

> <MOLECULAR_WEIGHT>
546.528

> <EXACT_MASS>
546.152597037

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
57.45253603080859

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[5,5''-bis(1-hydroxyethyl)-8'-(4-hydroxyphenyl)-5H,5''H-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-2'-yl]phenol

> <ALOGPS_LOGP>
3.03

> <JCHEM_LOGP>
5.145188792

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.798592161899283

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.194411502077482

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0435949377769855

> <JCHEM_POLAR_SURFACE_AREA>
136.3

> <JCHEM_REFRACTIVITY>
143.34599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[5,5''-bis(1-hydroxyethyl)-8'-(4-hydroxyphenyl)-5H,5''H-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-2'-yl]phenol

> <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      17.580   4.063   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.173   3.437   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      16.012   1.905   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      14.927   4.342   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.463   3.866   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.557   5.112   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.652   6.358   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.188   5.882   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.188   4.342   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.652   3.866   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.854   3.572   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.520   4.342   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.056   3.866   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.150   5.112   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.245   3.866   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.781   4.342   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.781   5.882   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.245   6.358   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.535   3.437   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.696   1.905   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.128   4.063   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.056   6.358   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.520   5.882   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.854   6.652   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.854   8.192   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.520   8.962   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.520  10.502   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.854  11.272   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.854  12.812   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.188  10.502   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.188   8.962   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.854   2.032   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.188   1.262   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.188  -0.278   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.854  -1.048   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       8.854  -2.588   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       7.520  -0.278   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.520   1.262   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.463   6.358   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.927   5.882   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   40                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   10   39                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    6                                                       
CONECT   11    9   12   32                                                  
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18   22                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17   14                                                       
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   14   23                                                       
CONECT   23   22   12   24                                                  
CONECT   24   23    8   25                                                  
CONECT   25   24   26   31                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   25                                                       
CONECT   32   11   33   38                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   32                                                       
CONECT   39    6   40                                                       
CONECT   40   39    4                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₆O₁₀

Average Mass

546.5280 Da

Monoisotopic Mass

546.15260 Da

IUPAC Name

4-[5,5''-bis(1-hydroxyethyl)-8'-(4-hydroxyphenyl)-5H,5''H-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-2'-yl]phenol

Traditional Name

4-[5,5''-bis(1-hydroxyethyl)-8'-(4-hydroxyphenyl)-5H,5''H-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-2'-yl]phenol

CAS Registry Number

Not Available

SMILES

CC(O)C1OC2(OC3=C(O2)C(=C2OC4(OC(C=C4)C(C)O)OC2=C3C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C=C1

InChI Identifier

InChI=1S/C30H26O10/c1-15(31)21-11-13-29(35-21)37-25-23(17-3-7-19(33)8-4-17)27-28(40-30(39-27)14-12-22(36-30)16(2)32)24(26(25)38-29)18-5-9-20(34)10-6-18/h3-16,21-22,31-34H,1-2H3

InChI Key

BSYSLLOYYVSZSS-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
Tapinella atrotomentosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Terphenyls

Direct Parent

P-terphenyls

Alternative Parents

Substituents

Para-terphenyl
Benzodioxole
1-hydroxy-2-unsubstituted benzenoid
Carboxylic acid orthoester
Ortho ester
Phenol
Dihydrofuran
Orthocarboxylic acid derivative
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxygen 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	3.03	ALOGPS
logP	5.15	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	9.19	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	136.3 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	143.35 m³·mol⁻¹	ChemAxon
Polarizability	57.45 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	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 4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol (NP0226945)

MOL for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

3D MOL for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

3D SDF for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

3D-SDF for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

PDB for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

3D PDB for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

SMILES for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

INCHI for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

Structure for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)

3D Structure for NP0226945 (4-[5,5''-bis(1-hydroxyethyl)-2'-(4-hydroxyphenyl)-5h,5''h-dispiro[furan-2,5'-[4,6,10,12]tetraoxatricyclo[7.3.0.0³,⁷]dodecane-11',2''-furan]-1',3'(7'),8'-trien-8'-yl]phenol)