NP-MRD: Showing NP-Card for Epicannabidiol hydrate (NP0138959)

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Record Information

Version

1.0

Created at

2022-06-29 19:33:23 UTC

Updated at

2022-06-29 19:33:23 UTC

NP-MRD ID

NP0138959

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Epicannabidiol hydrate

Description

Epicannabidiol hydrate belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. It was first documented in 2022 (PMID: 35863753). Based on a literature review a significant number of articles have been published on Epicannabidiol hydrate (PMID: 35863577) (PMID: 35863195) (PMID: 35858017) (PMID: 35855367).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 56 57  0  0  0  0  0  0  0  0999 V2000
    6.5640    1.6541    0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7867    0.4115    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7729   -0.6735    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526   -0.2285    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520   -1.3849    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177   -1.1119    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411   -1.3518   -1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209   -1.1061   -1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673   -1.3925   -2.6055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363   -0.5864   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -0.4130   -0.7490 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9953    0.6240   -1.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1632    1.8763   -1.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060    3.0195   -2.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4089    2.2388   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295    1.2947    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350   -0.0408    0.0421 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9367   -1.1625    0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1326   -0.6397    1.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5704   -2.1676   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1689   -1.7690    1.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318   -0.3570    0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641    0.1452    1.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -0.6047    1.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5482    2.0841    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    2.4130    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7685    1.4350    1.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789    0.0001    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8011    0.6558   -1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7952   -1.0222    1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0104   -1.5238   -0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0755    0.6808    0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -0.0328   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5890   -1.6509    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7576   -2.2480   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -1.7524   -1.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1851   -1.7562   -3.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845   -1.3489   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181    0.3990   -2.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134    2.6625   -3.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337    3.7454   -2.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0795    3.5823   -2.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    2.3168    0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8063    3.2819   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2132    1.3498    1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3655    1.7701    0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0585    0.0962   -0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8738   -0.3179    0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243    0.1630    2.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5252   -1.5309    2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1879   -1.5864   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -2.7371   -0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2464   -2.7893    0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363   -2.5735    2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    0.3569    2.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224   -0.3966    2.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 10 22  1  0
 22 23  1  0
 22 24  2  0
 24  6  1  0
 17 11  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  7 36  1  0
  9 37  1  0
 11 38  1  6
 12 39  1  0
 14 40  1  0
 14 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  6
 19 48  1  0
 19 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 20 53  1  0
 21 54  1  0
 23 55  1  0
 24 56  1  0
M  END


  Mrv1652306292221332D          

 24 25  0  0  1  0            999 V2000
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -7.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -8.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    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  1  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  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13  9  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 15 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0138959

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@@H]2C(C)(C)O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H32O3/c1-5-6-7-8-15-12-18(22)20(19(23)13-15)16-11-14(2)9-10-17(16)21(3,4)24/h11-13,16-17,22-24H,5-10H2,1-4H3/t16-,17+/m1/s1

> <INCHI_KEY>
FTDORWGKHUOHKJ-SJORKVTESA-N

> <FORMULA>
C21H32O3

> <MOLECULAR_WEIGHT>
332.484

> <EXACT_MASS>
332.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
39.43747144519841

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(1R,6S)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

> <ALOGPS_LOGP>
5.12

> <JCHEM_LOGP>
5.279685982666666

> <ALOGPS_LOGS>
-4.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.585732011878008

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.130697620095447

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7821574762301866

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
100.51250000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.64e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1R,6S)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.002 -13.860   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.337 -12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002 -15.400   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.566 -13.296   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.106 -15.964   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.669  -9.240   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   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    6                                                       
CONECT   12   10                                                            
CONECT   13    9   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19                                                            
CONECT   23   15                                                            
CONECT   24    8                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
Epicannabidiol hydric acid	Generator

Chemical Formula

C₂₁H₃₂O₃

Average Mass

332.4840 Da

Monoisotopic Mass

332.23514 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@@H]2C(C)(C)O)C(O)=C1

InChI Identifier

InChI=1S/C21H32O3/c1-5-6-7-8-15-12-18(22)20(19(23)13-15)16-11-14(2)9-10-17(16)21(3,4)24/h11-13,16-17,22-24H,5-10H2,1-4H3/t16-,17+/m1/s1

InChI Key

FTDORWGKHUOHKJ-SJORKVTESA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Substituents

P-menthane monoterpenoid
Monocyclic monoterpenoid
Aromatic monoterpenoid
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Tertiary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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

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

28425580

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102004411

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dudko V, Rosenfeldt S, Siegel R, Senker J, Matejdes M, Breu J: Delamination by Repulsive Osmotic Swelling of Synthetic Na-Hectorite with Variable Charge in Binary Dimethyl Sulfoxide-Water Mixtures. Langmuir. 2022 Sep 6;38(35):10781-10790. doi: 10.1021/acs.langmuir.2c00965. Epub 2022 Jul 21. [PubMed:35863753 ]
Qi F, Zhu G, Zhang Y, Li H, Li S, Yang C, Zhang J: Eco-friendly recycling of silicon-rich lye: Synthesis of hierarchically structured calcium silicate hydrate and its application for phosphorus removal. Sci Total Environ. 2022 Nov 20;848:157431. doi: 10.1016/j.scitotenv.2022.157431. Epub 2022 Jul 18. [PubMed:35863577 ]
Cao H, Huang X, Liu Y, Hu Q, Zheng Q, Huo Y, Xie F, Zhao J, Lin D: An efficient electrolyte additive of tetramethylammonium sulfate hydrate for Dendritic-Free zinc anode for aqueous Zinc-ion batteries. J Colloid Interface Sci. 2022 Dec;627:367-374. doi: 10.1016/j.jcis.2022.07.081. Epub 2022 Jul 16. [PubMed:35863195 ]
Zhang Y, Fu Y, Song X, Zhang X: Releasable Water Charge-Trapping and Water-Resistant Photodetection using 1D Perovskitoid Hydrate Single Crystal. Adv Mater. 2022 Sep;34(36):e2204710. doi: 10.1002/adma.202204710. Epub 2022 Aug 8. [PubMed:35858017 ]
Mahesha N, Kumar HK, Akkurt M, Yathirajan HS, Foro S, Abdelbaky MSM, Garcia-Granda S: Crystal-structure studies of 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12-hydrate. Acta Crystallogr E Crystallogr Commun. 2022 Jun 10;78(Pt 7):709-715. doi: 10.1107/S2056989022006004. eCollection 2022 Jul 1. [PubMed:35855367 ]

Showing NP-Card for Epicannabidiol hydrate (NP0138959)

MOL for NP0138959 (Epicannabidiol hydrate)

3D MOL for NP0138959 (Epicannabidiol hydrate)

3D SDF for NP0138959 (Epicannabidiol hydrate)

3D-SDF for NP0138959 (Epicannabidiol hydrate)

PDB for NP0138959 (Epicannabidiol hydrate)

3D PDB for NP0138959 (Epicannabidiol hydrate)

SMILES for NP0138959 (Epicannabidiol hydrate)

INCHI for NP0138959 (Epicannabidiol hydrate)

Structure for NP0138959 (Epicannabidiol hydrate)

3D Structure for NP0138959 (Epicannabidiol hydrate)