NP-MRD: Showing NP-Card for (2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol (NP0252315)

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Record Information

Version

2.0

Created at

2022-09-07 15:47:00 UTC

Updated at

2022-09-07 15:47:00 UTC

NP-MRD ID

NP0252315

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol

Description

(2S,3R,4aR,9aR)-7-[(E)-2-[(3R)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. (2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol is found in Macaranga alnifolia. Based on a literature review very few articles have been published on (2S,3R,4aR,9aR)-7-[(E)-2-[(3R)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072217472D          

 37 41  0  0  1  0            999 V2000
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 22  2  0  0  0  0
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 26 36  1  0  0  0  0
 36 37  1  1  0  0  0
 23 37  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072217472D          

 37 41  0  0  1  0            999 V2000
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    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 12 21  1  0  0  0  0
  5 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  1  0  0  0
 23 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0252315

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\C2=CC(O)=C3C[C@@H](O)C(C)(C)OC3=C2)=CC2=C1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2

> <INCHI_IDENTIFIER>
InChI=1S/C30H38O7/c1-28(2)24-13-18-9-16(12-23(35-6)26(18)37-30(24,5)15-21(32)27(28)34)7-8-17-10-20(31)19-14-25(33)29(3,4)36-22(19)11-17/h7-12,21,24-25,27,31-34H,13-15H2,1-6H3/b8-7+/t21-,24-,25-,27-,30-/m1/s1

> <INCHI_KEY>
RFLJGOACFXZRHJ-BHWVVENISA-N

> <FORMULA>
C30H38O7

> <MOLECULAR_WEIGHT>
510.627

> <EXACT_MASS>
510.261753564

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
58.236847459235506

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4aR,9aR)-7-[(E)-2-[(3R)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol

> <JCHEM_LOGP>
3.9017173743333315

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.408783829055142

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.058218471932049

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1931689536838705

> <JCHEM_POLAR_SURFACE_AREA>
108.61000000000001

> <JCHEM_REFRACTIVITY>
141.8315

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4aR,9aR)-7-[(E)-2-[(3R)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      14.670   3.850   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.003   8.470   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      13.337   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.347  10.420   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.327  10.420   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.670   8.470   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.004   9.240   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.670   6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.344   3.490   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.324   3.490   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   24                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   21                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13    8                                                       
CONECT   15   13   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   12                                                       
CONECT   22    5   23                                                       
CONECT   23   22   24   37                                                  
CONECT   24   23    3   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28   36                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35   36                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   33   26   37                                                  
CONECT   37   36   23                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₈O₇

Average Mass

510.6270 Da

Monoisotopic Mass

510.26175 Da

IUPAC Name

(2S,3R,4aR,9aR)-7-[(E)-2-[(3R)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol

Traditional Name

(2S,3R,4aR,9aR)-7-[(E)-2-[(3R)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\C2=CC(O)=C3C[C@@H](O)C(C)(C)OC3=C2)=CC2=C1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2

InChI Identifier

InChI=1S/C30H38O7/c1-28(2)24-13-18-9-16(12-23(35-6)26(18)37-30(24,5)15-21(32)27(28)34)7-8-17-10-20(31)19-14-25(33)29(3,4)36-22(19)11-17/h7-12,21,24-25,27,31-34H,13-15H2,1-6H3/b8-7+/t21-,24-,25-,27-,30-/m1/s1

InChI Key

RFLJGOACFXZRHJ-BHWVVENISA-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
Macaranga alnifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Stilbene
Xanthene
2,2-dimethyl-1-benzopyran
Anisole
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Cyclic alcohol
Secondary alcohol
Ether
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	3.9	ChemAxon
pKa (Strongest Acidic)	9.06	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	108.61 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	141.83 m³·mol⁻¹	ChemAxon
Polarizability	58.24 Å³	ChemAxon
Number of Rings	5	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

163189170

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol (NP0252315)

MOL for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

3D MOL for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

3D SDF for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

3D-SDF for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

PDB for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

3D PDB for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

SMILES for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

INCHI for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

Structure for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)

3D Structure for NP0252315 ((2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol)