NP-MRD: Showing NP-Card for methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate (NP0272740)

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Record Information

Version

2.0

Created at

2022-09-08 19:29:35 UTC

Updated at

2022-09-08 19:29:35 UTC

NP-MRD ID

NP0272740

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate

Description

Methyl (2R)-2-[(4R,4aS,6aS,7R,8R,9R,10S,10aS,10bR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate is found in Khaya senegalensis. Based on a literature review very few articles have been published on methyl (2R)-2-[(4R,4aS,6aS,7R,8R,9R,10S,10aS,10bR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082221292D          

 37 40  0  0  1  0            999 V2000
    3.6829    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0329    0.6039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4454   -0.1105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6829    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 37  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082221292D          

 37 40  0  0  1  0            999 V2000
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    2.0329   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3045   -1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3045   -0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6048   -0.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676   -0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0420   -1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.3121    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
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  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  1  0  0  0  0
 14 18  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0272740

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@H](O)[C@@H]1[C@@H]2CC[C@@]3(C)[C@@H](OC(=O)C[C@]3(O)[C@@]2(O)[C@@H](O)[C@H](O)[C@]1(C)CC(C)(C)O)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H38O11/c1-22(2,32)12-23(3)16(17(28)21(31)35-5)14-6-8-24(4)20(13-7-9-36-11-13)37-15(27)10-25(24,33)26(14,34)19(30)18(23)29/h7,9,11,14,16-20,28-30,32-34H,6,8,10,12H2,1-5H3/t14-,16-,17+,18-,19-,20-,23+,24-,25+,26-/m0/s1

> <INCHI_KEY>
VQGHRVIYFNTUCT-SJUUFGBBSA-N

> <FORMULA>
C26H38O11

> <MOLECULAR_WEIGHT>
526.579

> <EXACT_MASS>
526.241412044

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
53.54773868815889

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2R)-2-[(4R,4aS,6aS,7R,8R,9R,10S,10aS,10bR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate

> <JCHEM_LOGP>
-0.8930353163333327

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.595985018232696

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.034239409227055

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6354280745104637

> <JCHEM_POLAR_SURFACE_AREA>
187.11999999999998

> <JCHEM_REFRACTIVITY>
125.87029999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(R)-(methyl [(4R,4aS,6aS,7R,8R,9R,10S,10aS,10bR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl](hydroxy)acetate)

> <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       6.875   3.795   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.105   2.461   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.565   2.461   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.795   3.795   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.795   1.127   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.255   1.127   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.565  -0.206   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.105  -0.206   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.875   1.127   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.415   1.127   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.185  -0.206   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.955   1.127   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.725  -0.206   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.495   1.127   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.026   1.288   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.346   2.795   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      12.013   3.565   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.868   2.534   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      11.495  -1.540   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.725  -2.874   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      11.495  -4.207   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.185  -2.874   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.415  -1.540   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.645  -2.874   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.875  -1.540   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.714  -3.072   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.105  -2.874   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.875  -4.207   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.565  -2.874   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       3.795  -4.207   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.795  -1.540   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.435  -2.263   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.435  -0.817   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.129  -1.633   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.313  -0.327   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.945  -2.939   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.177  -2.449   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   31                                                  
CONECT    8    7    9   25                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   23                                             
CONECT   12   11                                                            
CONECT   13   11   14   19                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14                                                       
CONECT   19   13   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   11   24   25                                             
CONECT   24   23                                                            
CONECT   25   23    8   26   27                                             
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    7   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
Methyl (2R)-2-[(4R,4as,6as,7R,8R,9R,10S,10as,10BR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-yl]-2-hydroxyacetic acid	Generator

Chemical Formula

C₂₆H₃₈O₁₁

Average Mass

526.5790 Da

Monoisotopic Mass

526.24141 Da

IUPAC Name

methyl (2R)-2-[(4R,4aS,6aS,7R,8R,9R,10S,10aS,10bR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate

Traditional Name

(R)-(methyl [(4R,4aS,6aS,7R,8R,9R,10S,10aS,10bR)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl](hydroxy)acetate)

CAS Registry Number

Not Available

SMILES

COC(=O)[C@H](O)[C@@H]1[C@@H]2CC[C@@]3(C)[C@@H](OC(=O)C[C@]3(O)[C@@]2(O)[C@@H](O)[C@H](O)[C@]1(C)CC(C)(C)O)C1=COC=C1

InChI Identifier

InChI=1S/C26H38O11/c1-22(2,32)12-23(3)16(17(28)21(31)35-5)14-6-8-24(4)20(13-7-9-36-11-13)37-15(27)10-25(24,33)26(14,34)19(30)18(23)29/h7,9,11,14,16-20,28-30,32-34H,6,8,10,12H2,1-5H3/t14-,16-,17+,18-,19-,20-,23+,24-,25+,26-/m0/s1

InChI Key

VQGHRVIYFNTUCT-SJUUFGBBSA-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
Khaya senegalensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Steroid lactones

Alternative Parents

Substituents

Steroid lactone
20-hydroxysteroid
16-oxosteroid
Oxosteroid
2-oxosteroid
Hydroxysteroid
11-beta-hydroxysteroid
11-hydroxysteroid
12-alpha-hydroxysteroid
12-hydroxysteroid
9-hydroxysteroid
10-hydroxysteroid
15-hydroxysteroid
Naphthopyran
Naphthalene
Delta_valerolactone
Delta valerolactone
Pyran
Oxane
Dicarboxylic acid or derivatives
Cyclic alcohol
Furan
Heteroaromatic compound
Methyl ester
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Lactone
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Polyol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Organooxygen 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	-0.89	ChemAxon
pKa (Strongest Acidic)	12.03	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	187.12 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	125.87 m³·mol⁻¹	ChemAxon
Polarizability	53.55 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

162872303

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate (NP0272740)

MOL for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

3D MOL for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

3D SDF for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

3D-SDF for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

PDB for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

3D PDB for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

SMILES for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

INCHI for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

Structure for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)

3D Structure for NP0272740 (methyl (2r)-2-[(4s,4as,6as,7r,8r,9r,10s,10as,10br)-4-(furan-3-yl)-9,10,10a,10b-tetrahydroxy-8-(2-hydroxy-2-methylpropyl)-4a,8-dimethyl-2-oxo-octahydronaphtho[2,1-c]pyran-7-yl]-2-hydroxyacetate)