NP-MRD: Showing NP-Card for (1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one (NP0271427)

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Record Information

Version

2.0

Created at

2022-09-08 17:43:04 UTC

Updated at

2022-09-08 17:43:04 UTC

NP-MRD ID

NP0271427

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one

Description

(1S,3S,4R,5S)-1-[(1S)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]Deca-6,9-dien-8-one belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. (1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one is found in Pinus sylvestris. Based on a literature review very few articles have been published on (1S,3S,4R,5S)-1-[(1S)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]Deca-6,9-dien-8-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082219432D          

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M  END

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  Mrv1652309082219432D          

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    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6674    1.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211    0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886    1.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023    2.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698    2.7647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624    3.4358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087    3.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5812    2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0396    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    2.0361    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  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
 29 37  1  0  0  0  0
 28 38  1  0  0  0  0
  5 38  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0271427

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)[C@H]1O[C@H]([C@H](CO)OC2=CC=C(CCCO)C=C2OC)[C@@]2(C=CC(=O)C(OC)=C2)[C@@H]1CO

> <INCHI_IDENTIFIER>
InChI=1S/C30H36O10/c1-36-24-14-19(7-8-21(24)34)28-20(16-32)30(11-10-22(35)26(15-30)38-3)29(40-28)27(17-33)39-23-9-6-18(5-4-12-31)13-25(23)37-2/h6-11,13-15,20,27-29,31-34H,4-5,12,16-17H2,1-3H3/t20-,27+,28-,29-,30-/m1/s1

> <INCHI_KEY>
SZQZJNSCXOAEEV-QGFFCPEYSA-N

> <FORMULA>
C30H36O10

> <MOLECULAR_WEIGHT>
556.608

> <EXACT_MASS>
556.230847359

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
57.89925835704495

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3S,4R,5S)-1-[(1S)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one

> <JCHEM_LOGP>
1.7284447409999997

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.488657709312943

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.91069585998798

> <JCHEM_PKA_STRONGEST_BASIC>
-2.377415996735257

> <JCHEM_POLAR_SURFACE_AREA>
144.14000000000001

> <JCHEM_REFRACTIVITY>
148.81899999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,4R,5S)-1-[(1S)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one

> <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       6.990  -1.897   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.450  -1.897   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.680  -0.564   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.140  -0.564   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.140   2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.680   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.450   0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.990   0.770   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.941  -1.941   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.910  -3.085   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.596  -2.765   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       3.447  -2.261   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.923  -3.725   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.429  -4.046   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.905  -5.510   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.875  -6.655   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.350  -8.119   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.320  -9.264   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.796 -10.728   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.765 -11.873   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.368  -6.334   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.892  -4.870   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.386  -4.550   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.355  -5.694   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.246   2.445   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.653   1.819   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.899   2.724   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.738   4.256   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.984   5.161   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -2.331   4.882   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -2.170   6.414   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.763   7.040   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.085   3.977   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.465   2.016   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.941   3.481   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       3.447   3.801   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10   38                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    5   11   27                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   18   24                                                       
CONECT   24   23   15   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   10   28                                                       
CONECT   28   27   29   38                                                  
CONECT   29   28   30   37                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   29                                                       
CONECT   38   28    5   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₆O₁₀

Average Mass

556.6080 Da

Monoisotopic Mass

556.23085 Da

IUPAC Name

(1S,3S,4R,5S)-1-[(1S)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one

Traditional Name

(1S,3S,4R,5S)-1-[(1S)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)[C@H]1O[C@H]([C@H](CO)OC2=CC=C(CCCO)C=C2OC)[C@@]2(C=CC(=O)C(OC)=C2)[C@@H]1CO

InChI Identifier

InChI=1S/C30H36O10/c1-36-24-14-19(7-8-21(24)34)28-20(16-32)30(11-10-22(35)26(15-30)38-3)29(40-28)27(17-33)39-23-9-6-18(5-4-12-31)13-25(23)37-2/h6-11,13-15,20,27-29,31-34H,4-5,12,16-17H2,1-3H3/t20-,27+,28-,29-,30-/m1/s1

InChI Key

SZQZJNSCXOAEEV-QGFFCPEYSA-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
Pinus sylvestris	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Tetrahydrofuran
Cyclic ketone
Ketone
Ether
Dialkyl ether
Oxacycle
Organoheterocyclic compound
Primary alcohol
Alcohol
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
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	1.73	ChemAxon
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	-2.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	144.14 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	148.82 m³·mol⁻¹	ChemAxon
Polarizability	57.9 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

162980641

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one (NP0271427)

MOL for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

3D MOL for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

3D SDF for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

3D-SDF for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

PDB for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

3D PDB for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

SMILES for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

INCHI for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

Structure for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)

3D Structure for NP0271427 ((1s,3s,4r,5s)-1-[(1s)-2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one)