NP-MRD: Showing NP-Card for (1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate (NP0228515)

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Record Information

Version

2.0

Created at

2022-09-06 08:12:32 UTC

Updated at

2022-09-06 08:12:32 UTC

NP-MRD ID

NP0228515

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate

Description

21-Hydroxyryanodol 3-(1H-pyrrole-2-carboxylate) belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate is found in Ryania speciosa. Based on a literature review very few articles have been published on 21-Hydroxyryanodol 3-(1H-pyrrole-2-carboxylate).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062210122D          

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M  END

     RDKit          3D

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  Mrv1652309062210122D          

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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 17 31  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  6  0  0  0
 23 33  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 20 35  1  0  0  0  0
  4 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0228515

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@]1(O)[C@@H](OC(=O)C2=CC=CN2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](CO)CC[C@]35O)[C@@]2(O)[C@]14C

> <INCHI_IDENTIFIER>
InChI=1S/C25H35NO10/c1-12(2)22(32)17(35-16(29)14-6-5-9-26-14)23(33)18(3)11-21(31)19(22,4)25(23,34)24(36-21)15(28)13(10-27)7-8-20(18,24)30/h5-6,9,12-13,15,17,26-28,30-34H,7-8,10-11H2,1-4H3/t13-,15-,17-,18+,19+,20+,21+,22-,23-,24-,25-/m1/s1

> <INCHI_KEY>
KXWHVIGSKBPQQO-GVEACJFGSA-N

> <FORMULA>
C25H35NO10

> <MOLECULAR_WEIGHT>
509.552

> <EXACT_MASS>
509.226096331

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
51.2270474104283

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

> <JCHEM_LOGP>
-1.2932697820000008

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.851423035663526

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.222809314003026

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6305956010600102

> <JCHEM_POLAR_SURFACE_AREA>
192.92999999999998

> <JCHEM_REFRACTIVITY>
120.89279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.305  -2.684   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.892  -3.295   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.714  -4.825   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.344  -2.377   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.609  -3.256   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.107  -0.989   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.388  -0.133   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.769  -0.814   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.870  -2.351   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.050   0.041   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.494  -0.492   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.448   0.717   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.592   1.998   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -4.110   1.580   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       1.833  -0.837   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.783   0.290   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.220   0.571   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.274   1.694   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.369   1.740   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.477   0.682   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.044   0.437   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.068  -0.292   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.814  -1.660   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.016  -2.754   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.563  -4.226   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.583  -2.531   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.548  -3.731   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.070  -3.495   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.125  -1.081   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.103   0.088   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.527  -0.259   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       4.795   1.257   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.226  -1.930   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.282  -3.469   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.833  -0.699   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.609  -0.157   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6   35                                             
CONECT    5    4                                                            
CONECT    6    4    7   15                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10                                                       
CONECT   15    6   16   17   33                                             
CONECT   16   15                                                            
CONECT   17   15   18   19   31                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22   35                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   31   33                                             
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   17   23   32                                             
CONECT   32   31                                                            
CONECT   33   23   15   34   35                                             
CONECT   34   33                                                            
CONECT   35   33   20    4   36                                             
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Value	Source
21-Hydroxyryanodol 3-(1H-pyrrole-2-carboxylic acid)	Generator

Chemical Formula

C₂₅H₃₅NO₁₀

Average Mass

509.5520 Da

Monoisotopic Mass

509.22610 Da

IUPAC Name

(1R,2R,3R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

Traditional Name

(1R,2R,3R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

CAS Registry Number

Not Available

SMILES

CC(C)[C@@]1(O)[C@@H](OC(=O)C2=CC=CN2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](CO)CC[C@]35O)[C@@]2(O)[C@]14C

InChI Identifier

InChI=1S/C25H35NO10/c1-12(2)22(32)17(35-16(29)14-6-5-9-26-14)23(33)18(3)11-21(31)19(22,4)25(23,34)24(36-21)15(28)13(10-27)7-8-20(18,24)30/h5-6,9,12-13,15,17,26-28,30-34H,7-8,10-11H2,1-4H3/t13-,15-,17-,18+,19+,20+,21+,22-,23-,24-,25-/m1/s1

InChI Key

KXWHVIGSKBPQQO-GVEACJFGSA-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
Ryania speciosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Ryanodane diterpenoid
Pyrrole-2-carboxylic acid or derivatives
Oxepane
Monosaccharide
Oxane
Substituted pyrrole
Cyclic alcohol
Heteroaromatic compound
Tetrahydrofuran
Tertiary alcohol
Pyrrole
Carboxylic acid ester
Hemiacetal
Secondary alcohol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Primary alcohol
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	-1.3	ChemAxon
pKa (Strongest Acidic)	11.22	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	192.93 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	120.89 m³·mol⁻¹	ChemAxon
Polarizability	51.23 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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

101177515

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate (NP0228515)

MOL for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D MOL for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D SDF for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D-SDF for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

PDB for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D PDB for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

SMILES for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

INCHI for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

Structure for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D Structure for NP0228515 ((1r,2r,3r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-11-isopropyl-7,10-dimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)