NP-MRD: Showing NP-Card for 2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate (NP0202945)

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Record Information

Version

2.0

Created at

2022-09-04 22:16:36 UTC

Updated at

2022-09-04 22:16:36 UTC

NP-MRD ID

NP0202945

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate

Description

2-(Acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole-2-carboxylate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on 2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole-2-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052200162D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309052200162D          

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    4.3402   -2.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9727   -2.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959   -2.9010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -3.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381   -2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -2.3868    0.0000 N   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
  2  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  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
 13 15  1  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
 17 19  2  0  0  0  0
 15 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0202945

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC(C2C=C(C)C(OC(C)=O)C(OC(=O)C3CC4(O)C(N3)N(C)C3=CC=CC=C43)C12O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C29H38N2O6/c1-15(2)19-12-11-17(4)29(35)21(19)13-16(3)24(36-18(5)32)25(29)37-26(33)22-14-28(34)20-9-7-8-10-23(20)31(6)27(28)30-22/h7-10,13,17,19,21-22,24-25,27,30,34-35H,1,11-12,14H2,2-6H3

> <INCHI_KEY>
JVCPFZFQXUZUMV-UHFFFAOYSA-N

> <FORMULA>
C29H38N2O6

> <MOLECULAR_WEIGHT>
510.631

> <EXACT_MASS>
510.272986952

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
54.55593500638312

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole-2-carboxylate

> <JCHEM_LOGP>
3.124478178666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.466110268378543

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.835013098053775

> <JCHEM_PKA_STRONGEST_BASIC>
4.132661906691031

> <JCHEM_POLAR_SURFACE_AREA>
108.33000000000001

> <JCHEM_REFRACTIVITY>
138.36389999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,8aH-pyrrolo[2,3-b]indole-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -9.407  -4.994   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.242  -3.986   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.533  -2.474   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.787  -4.491   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.497  -6.003   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.042  -6.508   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.877  -5.500   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.422  -6.005   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.168  -3.988   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.713  -4.492   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -5.623  -3.483   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.913  -1.971   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.749  -0.963   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.039   0.549   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.294  -1.468   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.129  -0.460   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.420   1.053   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.875   1.557   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.255   2.060   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.003  -2.980   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.548  -3.485   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.384  -2.477   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.674  -0.965   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.071  -2.982   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.335  -2.101   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.562  -3.031   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.067  -1.576   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.102  -3.061   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.155  -1.937   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.655  -2.287   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.102  -3.761   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.049  -4.885   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.549  -4.535   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       4.286  -5.415   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       4.255  -6.955   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.058  -4.486   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       1.518  -4.455   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   20                                             
CONECT   10    9                                                            
CONECT   11    9    4   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   15    9   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   37                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28   36                                             
CONECT   27   26                                                            
CONECT   28   26   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   28   34                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   26   37                                                  
CONECT   37   36   24                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
2-(Acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,3ah,8H,8ah-pyrrolo[2,3-b]indole-2-carboxylic acid	Generator

Chemical Formula

C₂₉H₃₈N₂O₆

Average Mass

510.6310 Da

Monoisotopic Mass

510.27299 Da

IUPAC Name

2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole-2-carboxylate

Traditional Name

2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl 3a-hydroxy-8-methyl-1H,2H,3H,8aH-pyrrolo[2,3-b]indole-2-carboxylate

CAS Registry Number

Not Available

SMILES

CC1CCC(C2C=C(C)C(OC(C)=O)C(OC(=O)C3CC4(O)C(N3)N(C)C3=CC=CC=C43)C12O)C(C)=C

InChI Identifier

InChI=1S/C29H38N2O6/c1-15(2)19-12-11-17(4)29(35)21(19)13-16(3)24(36-18(5)32)25(29)37-26(33)22-14-28(34)20-9-7-8-10-23(20)31(6)27(28)30-22/h7-10,13,17,19,21-22,24-25,27,30,34-35H,1,11-12,14H2,2-6H3

InChI Key

JVCPFZFQXUZUMV-UHFFFAOYSA-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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Cadinane sesquiterpenoid
Sesquiterpenoid
Alpha-amino acid ester
Pyrroloindole
Alpha-amino acid or derivatives
Indole
Indole or derivatives
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Dialkylarylamine
Dicarboxylic acid or derivatives
Benzenoid
Pyrrolidine
Tertiary alcohol
Pyrrole
Cyclic alcohol
Amino acid or derivatives
Carboxylic acid ester
Secondary amine
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Secondary aliphatic amine
Hydrocarbon derivative
Alcohol
Organopnictogen compound
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Amine
Organic oxygen compound
Organic nitrogen 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	3.12	ChemAxon
pKa (Strongest Acidic)	12.84	ChemAxon
pKa (Strongest Basic)	4.13	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	108.33 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	138.36 m³·mol⁻¹	ChemAxon
Polarizability	54.56 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

162934949

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate (NP0202945)

MOL for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

3D MOL for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

3D SDF for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

3D-SDF for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

PDB for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

3D PDB for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

SMILES for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

INCHI for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

Structure for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)

3D Structure for NP0202945 (2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate)