NP-MRD: Showing NP-Card for 4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester (NP0058296)

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Record Information

Version

2.0

Created at

2022-04-28 03:39:22 UTC

Updated at

2022-04-28 03:39:22 UTC

NP-MRD ID

NP0058296

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester

Description

Methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. 4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester is found in Podolepis rugata. Based on a literature review very few articles have been published on methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
    6.7380   -0.9976   -0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283   -1.1641   -0.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3186   -0.5332   -0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345    0.2346   -1.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832   -0.7007   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432   -1.4829    1.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553   -1.5907    1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -0.1409    1.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757    0.6722    0.4734 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4070    1.0537   -0.0119 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3026    1.8808   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0390    1.9232    1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645    1.4322    1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418    0.0537    0.4902 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5996   -0.2600   -0.2928 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8062   -0.1906    0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347   -1.7063   -0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7577    0.6294   -1.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058   -0.0235   -0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959    0.0014   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4898   -1.0435    0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8138   -0.0883   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149   -1.9242   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5545   -2.0205    1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -2.1232    0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433   -2.0330    2.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -0.1371    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826    0.2858    2.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    1.6570    0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455    1.2580   -2.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515    2.4764   -1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107    2.6364   -1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5861    1.8385    2.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933    3.0149    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131    2.0715    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886    1.4002    2.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814   -0.7136    1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7432   -0.0603    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9537   -1.1744    1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7211    0.6364    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106   -2.3273    0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -1.8425   -1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5186   -2.0046   -1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5280    1.2187   -1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    0.6996   -1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991   -0.7914   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 20  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 19  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  6
 20  5  1  0
 19 10  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  6 24  1  0
  7 25  1  0
  7 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  1
 20 45  1  0
 20 46  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  1
 16 38  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 17 43  1  0
 18 44  1  0
M  END


  Mrv1652304282205392D          

 20 21  0  0  1  0            999 V2000
   -0.0425   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -1.1471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0374   -1.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825   -2.4167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2674   -3.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523   -3.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348   -2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999   -3.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350   -0.4284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8600   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0201    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    0.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899    0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099   -0.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949    1.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3199    1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.4284    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  3 10  1  1  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0058296

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CCC[C@@H](C1)[C@]1(C)CC[C@H](O1)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C16H26O4/c1-15(2,18)13-8-9-16(3,20-13)12-7-5-6-11(10-12)14(17)19-4/h6,12-13,18H,5,7-10H2,1-4H3/t12-,13-,16-/m0/s1

> <INCHI_KEY>
GLZYRKYVXBYFCI-XEZPLFJOSA-N

> <FORMULA>
C16H26O4

> <MOLECULAR_WEIGHT>
282.38

> <EXACT_MASS>
282.183109317

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
32.27287194314047

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate

> <ALOGPS_LOGP>
2.70

> <JCHEM_LOGP>
2.504150262666666

> <ALOGPS_LOGS>
-3.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.325328774073398

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0939011942202947

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
77.5113

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -0.079  -4.511   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.555  -3.046   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.691  -2.141   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.936  -3.046   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.461  -4.511   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.366  -5.757   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.271  -7.003   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.612  -4.852   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.120  -6.662   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.065  -0.800   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.605  -0.783   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.361   0.558   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.577   1.884   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.037   1.868   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.719   0.526   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.901   0.574   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.685  -0.751   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -4.657   1.916   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -6.197   1.932   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.447  -0.800   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10   20                                             
CONECT    4    3    5                                                       
CONECT    5    4    1    6                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    3   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16   12   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20    3                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Value	Source
Methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylic acid	Generator

Chemical Formula

C₁₆H₂₆O₄

Average Mass

282.3800 Da

Monoisotopic Mass

282.18311 Da

IUPAC Name

methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate

Traditional Name

methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CCC[C@@H](C1)[C@]1(C)CC[C@H](O1)C(C)(C)O

InChI Identifier

InChI=1S/C16H26O4/c1-15(2,18)13-8-9-16(3,20-13)12-7-5-6-11(10-12)14(17)19-4/h6,12-13,18H,5,7-10H2,1-4H3/t12-,13-,16-/m0/s1

InChI Key

GLZYRKYVXBYFCI-XEZPLFJOSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Podolepis rugata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrahydrofurans

Sub Class

Not Available

Direct Parent

Tetrahydrofurans

Alternative Parents

Substituents

Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	2.7	ALOGPS
logP	2.5	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	14.33	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	77.51 m³·mol⁻¹	ChemAxon
Polarizability	32.27 Å³	ChemAxon
Number of Rings	2	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

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KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

163104142

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

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Showing NP-Card for 4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester (NP0058296)

MOL for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

3D MOL for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

3D SDF for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

3D-SDF for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

PDB for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

3D PDB for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

SMILES for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

INCHI for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

Structure for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)

3D Structure for NP0058296 (4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester)