NP-MRD: Showing NP-Card for methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate (NP0221661)

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Record Information

Version

2.0

Created at

2022-09-05 23:17:46 UTC

Updated at

2022-09-05 23:17:46 UTC

NP-MRD ID

NP0221661

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate

Description

Vinerinine belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen. Based on a literature review very few articles have been published on Vinerinine.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062201172D          

 30 34  0  0  1  0            999 V2000
   -2.5056   -5.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7438   -4.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788   -4.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -4.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   -3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -3.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -2.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -1.9642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1315   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -2.1529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5252   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7221   -1.7404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444   -1.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -2.5478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0693   -3.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -3.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263   -3.8259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039   -3.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307   -1.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -2.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -2.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751   -3.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070   -3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -4.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802   -4.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4839   -2.5302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0489   -3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -2.9427    0.0000 C   0  0  2  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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 12  1  6  0  0  0
 28 29  1  0  0  0  0
 30 29  1  6  0  0  0
  5 30  1  0  0  0  0
 10 30  1  0  0  0  0
M  END


  Mrv1652309062201172D          

 30 34  0  0  1  0            999 V2000
   -2.5056   -5.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7438   -4.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788   -4.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -4.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   -3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -3.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -2.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -1.9642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1315   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -2.1529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5252   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7221   -1.7404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444   -1.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -2.5478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0693   -3.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -3.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263   -3.8259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039   -3.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307   -1.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -2.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -2.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751   -3.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070   -3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -4.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802   -4.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4839   -2.5302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0489   -3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -2.9427    0.0000 C   0  0  2  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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 12  1  6  0  0  0
 28 29  1  0  0  0  0
 30 29  1  6  0  0  0
  5 30  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0221661

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(O)=NC1=C4C=CC(O)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C22H26N2O6/c1-11-13-9-24-7-6-22(17(24)8-12(13)14(10-30-11)20(26)29-3)15-4-5-16(25)19(28-2)18(15)23-21(22)27/h4-5,10-13,17,25H,6-9H2,1-3H3,(H,23,27)/t11-,12-,13-,17-,22+/m0/s1

> <INCHI_KEY>
CCYMARHRBUVHFA-JKIATBFQSA-N

> <FORMULA>
C22H26N2O6

> <MOLECULAR_WEIGHT>
414.458

> <EXACT_MASS>
414.179086565

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
42.10065470412984

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (1'S,3R,4'aS,5'aS,10'aS)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate

> <JCHEM_LOGP>
-0.7602490030588694

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.92134385416945

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3527425452907664

> <JCHEM_PKA_STRONGEST_BASIC>
10.865738739539385

> <JCHEM_POLAR_SURFACE_AREA>
100.82000000000001

> <JCHEM_REFRACTIVITY>
110.59159999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1'S,3R,4'aS,5'aS,10'aS)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-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      -4.677 -10.686   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.122  -9.212   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.067  -8.090   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.568  -8.442   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.512  -6.615   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.011  -6.263   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.455  -4.789   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -5.401  -3.666   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.845  -2.192   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.902  -4.019   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.847  -2.896   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.348  -3.249   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -0.083  -2.370   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.143  -3.302   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.636  -4.756   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.129  -6.210   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.345  -6.655   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0       1.356  -7.142   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       2.621  -6.263   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.176  -4.789   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.231  -3.666   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.730  -4.019   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.174  -5.493   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.674  -5.845   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.120  -6.615   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.564  -8.090   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       3.510  -9.212   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.903  -4.723   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.958  -5.845   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.457  -5.493   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   30                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   30                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   28                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20   28                                             
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   15   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   19   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   15   12   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29    5   10                                                  
MASTER        0    0    0    0    0    0    0    0   30    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₆N₂O₆

Average Mass

414.4580 Da

Monoisotopic Mass

414.17909 Da

IUPAC Name

methyl (1'S,3R,4'aS,5'aS,10'aS)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate

Traditional Name

methyl (1'S,3R,4'aS,5'aS,10'aS)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(O)=NC1=C4C=CC(O)=C1OC

InChI Identifier

InChI=1S/C22H26N2O6/c1-11-13-9-24-7-6-22(17(24)8-12(13)14(10-30-11)20(26)29-3)15-4-5-16(25)19(28-2)18(15)23-21(22)27/h4-5,10-13,17,25H,6-9H2,1-3H3,(H,23,27)/t11-,12-,13-,17-,22+/m0/s1

InChI Key

CCYMARHRBUVHFA-JKIATBFQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indolizidines

Sub Class

Not Available

Direct Parent

Indolizidines

Alternative Parents

Substituents

Indole or derivatives
Dihydroindole
Indolizidine
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Piperidine
N-alkylpyrrolidine
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Methyl ester
Enoate ester
Vinylogous ester
Pyrrolidine
Amino acid or derivatives
Tertiary aliphatic amine
Carboxamide group
Carboxylic acid ester
Lactam
Tertiary amine
Secondary carboxylic acid amide
Oxacycle
Ether
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Azacycle
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Amine
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	-0.76	ChemAxon
pKa (Strongest Acidic)	3.35	ChemAxon
pKa (Strongest Basic)	10.87	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	100.82 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	110.59 m³·mol⁻¹	ChemAxon
Polarizability	42.1 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

101277386

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate (NP0221661)

MOL for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

3D MOL for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

3D SDF for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

3D-SDF for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

PDB for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

3D PDB for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

SMILES for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

INCHI for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

Structure for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)

3D Structure for NP0221661 (methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate)