NP-MRD: Showing NP-Card for methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate (NP0225349)

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Record Information

Version

2.0

Created at

2022-09-06 04:03:02 UTC

Updated at

2022-09-06 04:03:02 UTC

NP-MRD ID

NP0225349

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate

Description

Methyl (1'R,3R,5'S,6S,7'S)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]Pentadecane]-8'(14'),11'-diene-12'-carboxylate belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate is found in Daphniphyllum gracile. Based on a literature review very few articles have been published on methyl (1'R,3R,5'S,6S,7'S)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]Pentadecane]-8'(14'),11'-diene-12'-carboxylate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062206032D          

 29 33  0  0  1  0            999 V2000
    1.0851   -2.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090   -2.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283   -1.6841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6372   -1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973   -1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974   -0.3957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6130   -0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1390   -1.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281    0.2916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0557    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    0.7520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3389    1.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301    0.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683   -0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524   -1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0074   -3.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -2.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7761   -2.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134   -1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -1.0559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3102   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.9289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841   -0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 23 22  1  6  0  0  0
 15 23  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 10 27  1  1  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 14 29  1  0  0  0  0
M  END


  Mrv1652309062206032D          

 29 33  0  0  1  0            999 V2000
    1.0851   -2.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090   -2.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283   -1.6841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6372   -1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973   -1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974   -0.3957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6130   -0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1390   -1.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281    0.2916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0557    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    0.7520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3389    1.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301    0.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683   -0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524   -1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0074   -3.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -2.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7761   -2.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134   -1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -1.0559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3102   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.9289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841   -0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 23 22  1  6  0  0  0
 15 23  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 10 27  1  1  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225349

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@]1(O)CC[C@@]2(CO1)[C@H]1CN(C)C[C@@]22CC(C(=O)OC)=C3CCC([C@@H](O)C1)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C23H33NO5/c1-4-23(27)8-7-21(13-29-23)14-9-18(25)16-6-5-15-17(20(26)28-3)10-22(21,19(15)16)12-24(2)11-14/h14,18,25,27H,4-13H2,1-3H3/t14-,18+,21-,22-,23+/m1/s1

> <INCHI_KEY>
FLEXWSVNLALIPP-CYLSZLGPSA-N

> <FORMULA>
C23H33NO5

> <MOLECULAR_WEIGHT>
403.519

> <EXACT_MASS>
403.235873167

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
44.416652154337044

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (1'R,3R,5'S,6S,7'S)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1^{1,5}.0^{11,14}]pentadecane]-8'(14'),11'-diene-12'-carboxylate

> <JCHEM_LOGP>
0.893188872999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.57348271714186

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.078422952556606

> <JCHEM_PKA_STRONGEST_BASIC>
9.729648097280887

> <JCHEM_POLAR_SURFACE_AREA>
79.22999999999999

> <JCHEM_REFRACTIVITY>
110.28069999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1'R,3R,5'S,6S,7'S)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1^{1,5}.0^{11,14}]pentadecane]-8'(14'),11'-diene-12'-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       2.026  -5.422   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.377  -4.683   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.413  -3.144   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.923  -3.446   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.890  -3.376   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.928  -2.173   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.489  -0.739   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.011  -0.507   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.993  -1.926   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.799   0.544   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.971   1.649   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.519   1.404   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.366   2.690   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.350   0.088   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.674  -1.359   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.764  -2.449   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.981  -3.811   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.631  -5.206   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.747  -6.468   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.165  -5.341   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.049  -4.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.452  -3.538   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.138  -1.971   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.579  -2.581   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -0.792  -1.734   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -2.172  -2.416   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.634  -0.159   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.130  -1.673   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.868  -0.141   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    9                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10   23                                             
CONECT    8    7    9                                                       
CONECT    9    8    3                                                       
CONECT   10    7   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   29                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17   28                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22   17   23                                                       
CONECT   23   22   15    7   24                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   10                                                       
CONECT   28   16   29                                                       
CONECT   29   28   14                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   66    0
END

View in JSmol

Synonyms

Value	Source
Methyl (1'r,3R,5's,6S,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1,.0,]pentadecane]-8'(14'),11'-diene-12'-carboxylic acid	Generator

Chemical Formula

C₂₃H₃₃NO₅

Average Mass

403.5190 Da

Monoisotopic Mass

403.23587 Da

IUPAC Name

methyl (1'R,3R,5'S,6S,7'S)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1^{1,5}.0^{11,14}]pentadecane]-8'(14'),11'-diene-12'-carboxylate

Traditional Name

methyl (1'R,3R,5'S,6S,7'S)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1^{1,5}.0^{11,14}]pentadecane]-8'(14'),11'-diene-12'-carboxylate

CAS Registry Number

Not Available

SMILES

CC[C@@]1(O)CC[C@@]2(CO1)[C@H]1CN(C)C[C@@]22CC(C(=O)OC)=C3CCC([C@@H](O)C1)=C23

InChI Identifier

InChI=1S/C23H33NO5/c1-4-23(27)8-7-21(13-29-23)14-9-18(25)16-6-5-15-17(20(26)28-3)10-22(21,19(15)16)12-24(2)11-14/h14,18,25,27H,4-13H2,1-3H3/t14-,18+,21-,22-,23+/m1/s1

InChI Key

FLEXWSVNLALIPP-CYLSZLGPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Daphniphyllum gracile	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azaspirodecane derivatives

Sub Class

Not Available

Direct Parent

Azaspirodecane derivatives

Alternative Parents

Substituents

Azaspirodecane
Oxane
Piperidine
Methyl ester
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Amino acid or derivatives
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Carboxylic acid ester
Hemiacetal
Azacycle
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxide
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organopnictogen compound
Alcohol
Carbonyl group
Organic nitrogen compound
Amine
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	0.89	ChemAxon
pKa (Strongest Acidic)	12.08	ChemAxon
pKa (Strongest Basic)	9.73	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	79.23 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	110.28 m³·mol⁻¹	ChemAxon
Polarizability	44.42 Å³	ChemAxon
Number of Rings	5	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

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

162865187

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'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate (NP0225349)

MOL for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

3D MOL for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

3D SDF for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

3D-SDF for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

PDB for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

3D PDB for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

SMILES for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

INCHI for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

Structure for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)

3D Structure for NP0225349 (methyl (1'r,3r,5's,6s,7's)-6-ethyl-6,7'-dihydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecane]-8'(14'),11'-diene-12'-carboxylate)