NP-MRD: Showing NP-Card for (2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol (NP0325158)

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Record Information

Version

1.0

Created at

2022-09-12 05:41:56 UTC

Updated at

2022-09-12 05:41:57 UTC

NP-MRD ID

NP0325158

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol

Description

(6S,7s,9r,10r)-6,9-epoxynonadec-18-ene-7,10-diol belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. (2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol is found in Notheia anomala. It was first documented in 2009 (PMID: 19323544). Based on a literature review very few articles have been published on (6s,7s,9r,10r)-6,9-epoxynonadec-18-ene-7,10-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 58 58  0  0  0  0  0  0  0  0999 V2000
    9.4182    1.3744   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277    0.6348   -0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728    1.3228   -1.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0296    0.7419   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836   -0.7377   -0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7664   -1.2932    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591   -0.6443    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221   -1.2363    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675   -0.5058    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1465   -0.9945    1.1921 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0562   -0.8043    2.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3363   -0.2135    0.6967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5465   -0.4930   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -0.0318   -0.9073 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9530    1.3181   -1.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451   -0.4224    0.4137 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5845    0.4674    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7805    0.7099    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5345   -0.5345   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7129   -0.0919   -1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5939    0.8819   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5122   -0.5542    1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3176    2.4493   -0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3311    0.8719    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484   -0.4243   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9596    1.1845   -2.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    2.4184   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1325    1.3133   -0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1991    0.8887    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8147   -1.2949   -0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5993   -0.8551   -1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829   -1.1410    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.3961    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4853    0.4475    0.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583   -0.8128   -1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424   -0.9907    1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639   -2.3177    0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.5748    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294   -0.6860   -0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3136   -2.0510    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176    0.1181    2.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    0.8735    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.0994   -1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4676   -1.5816   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4173   -0.6197   -1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8821    1.7914   -0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0063   -1.4479    0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1661    1.4628    1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407    0.0143    1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4698    1.3607    0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5570    1.2506   -0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9477   -1.2351   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9963   -1.0333    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3211   -0.9357   -1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3679    0.4694   -1.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6471    0.7478   -0.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3275    1.9316   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5411    0.6615    0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 22  1  0
 22 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 12 10  1  0
 10 11  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
 14 16  1  0
 21 56  1  0
 21 57  1  0
 21 58  1  0
 20 54  1  0
 20 55  1  0
 19 52  1  0
 19 53  1  0
 18 50  1  0
 18 51  1  0
 17 48  1  0
 17 49  1  0
 16 47  1  6
 12 42  1  6
 13 43  1  0
 13 44  1  0
 14 45  1  6
 15 46  1  0
 10 40  1  1
 11 41  1  0
  9 38  1  0
  9 39  1  0
  8 36  1  0
  8 37  1  0
  7 34  1  0
  7 35  1  0
  6 32  1  0
  6 33  1  0
  5 30  1  0
  5 31  1  0
  4 28  1  0
  4 29  1  0
  3 26  1  0
  3 27  1  0
  2 25  1  0
  1 23  1  0
  1 24  1  0
M  END


  Mrv1652309122207412D          

 22 22  0  0  1  0            999 V2000
   -0.8633   -6.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -6.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801   -6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946   -6.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4235   -6.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -6.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -6.6304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5670   -7.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2814   -6.2179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3677   -5.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1746   -5.2259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5102   -4.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5871   -5.9404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4076   -6.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7432   -6.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5637   -6.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8992   -7.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7197   -7.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0351   -6.5535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  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
 16 22  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0325158

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC[C@@H]1O[C@H](C[C@@H]1O)[C@H](O)CCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1

> <INCHI_KEY>
ZPHRIOPZYRKRRG-YDZRNGNQSA-N

> <FORMULA>
C19H36O3

> <MOLECULAR_WEIGHT>
312.494

> <EXACT_MASS>
312.266445019

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
39.333554793377935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol

> <JCHEM_LOGP>
4.772207849666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.462720660164738

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.85014123815112

> <JCHEM_PKA_STRONGEST_BASIC>
-3.150696684709467

> <JCHEM_POLAR_SURFACE_AREA>
49.69

> <JCHEM_REFRACTIVITY>
91.7736

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.611 -11.607   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.278 -12.377   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.056 -11.607   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.390 -12.377   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.723 -11.607   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.057 -12.377   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.391 -11.607   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.724 -12.377   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.058 -11.607   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.392 -12.377   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.392 -13.917   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.725 -11.607   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.886 -10.075   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.393  -9.755   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.019  -8.348   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      14.163 -11.089   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.694 -11.250   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.321 -12.657   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.852 -12.818   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.479 -14.224   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.010 -14.385   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.132 -12.233   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   16   12                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₃₆O₃

Average Mass

312.4940 Da

Monoisotopic Mass

312.26645 Da

IUPAC Name

(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol

Traditional Name

(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol

CAS Registry Number

Not Available

SMILES

CCCCC[C@@H]1O[C@H](C[C@@H]1O)[C@H](O)CCCCCCCC=C

InChI Identifier

InChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1

InChI Key

ZPHRIOPZYRKRRG-YDZRNGNQSA-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
Notheia anomala	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Fatty alcohol
Fatty acyl
Oxolane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	4.77	ChemAxon
pKa (Strongest Acidic)	13.85	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.69 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	91.77 m³·mol⁻¹	ChemAxon
Polarizability	39.33 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

9295681

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11120550

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kang B, Mowat J, Pinter T, Britton R: Development of a concise and general enantioselective approach to 2,5-disubstituted-3-hydroxytetrahydrofurans. Org Lett. 2009 Apr 16;11(8):1717-20. doi: 10.1021/ol802711s. [PubMed:19323544 ]
LOTUS database [Link]

Showing NP-Card for (2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol (NP0325158)

MOL for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

3D MOL for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

3D SDF for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

3D-SDF for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

PDB for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

3D PDB for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

SMILES for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

INCHI for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

Structure for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)

3D Structure for NP0325158 ((2s,3s,5r)-5-[(1r)-1-hydroxydec-9-en-1-yl]-2-pentyloxolan-3-ol)