NP-MRD: Showing NP-Card for 13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione (NP0291862)

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Record Information

Version

2.0

Created at

2022-09-09 23:06:53 UTC

Updated at

2022-09-09 23:06:53 UTC

NP-MRD ID

NP0291862

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione

Description

13-Hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]Heptadecane-2,8-dione belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms. 13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione is found in Phlegmariurus sieboldii. 13-Hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]Heptadecane-2,8-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.9529    0.2611    0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8746    1.0812   -0.0753 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7462    1.4258    0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8893    0.2184    0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471   -0.3733    1.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1753   -0.1460   -0.2736 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4774    1.0945   -0.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008    1.8833   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8741    1.7158   -0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4543    0.4661    0.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2402    0.5830    1.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4369   -0.4305    0.2300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6213   -1.7585    0.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150   -2.1376    0.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -1.3481   -0.3566 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8547   -0.9200   -0.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425   -2.3352   -1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093   -3.1976   -1.9754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5032   -1.9659   -1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902   -0.4793   -1.3050 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4511    0.3745   -1.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456   -0.8077    0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9105    0.4583    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0498    0.6952    1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674    2.0511   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    1.6629    1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    2.2972    0.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    1.7135   -1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123    0.6930   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495    1.9835    0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2388    2.9701   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    2.5325    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0438    1.9211   -1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9549    1.2469    0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    0.0430    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2304   -2.4142    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -1.7166    1.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231   -1.9676    1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143   -3.2459    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -2.3681   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -2.2561   -0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622   -0.4235   -2.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    1.1534   -2.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -0.2335   -1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 21  1  0
 21 20  1  0
 20 19  1  0
 19 17  1  0
 17 18  2  0
 15 17  1  6
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 16  1  0
 12 10  1  0
 10 11  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  4  1  1
  4  5  2  0
  4  3  1  0
  3  2  1  0
  6 20  1  0
 16 15  1  0
  6 15  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  6
 21 43  1  0
 21 44  1  0
 20 42  1  6
 19 40  1  0
 19 41  1  0
 14 38  1  0
 14 39  1  0
 13 36  1  0
 13 37  1  0
 12 35  1  1
 11 34  1  0
  9 32  1  0
  9 33  1  0
  8 30  1  0
  8 31  1  0
  7 28  1  0
  7 29  1  0
  3 26  1  0
  3 27  1  0
M  END


  Mrv1533004191514422D          

 21 24  0  0  0  0            999 V2000
   -0.0162   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888    0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0195    1.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569   -0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6055   -1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9715   -0.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564   -2.0268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0082   -2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   -2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356   -2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087   -1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099   -0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442   -1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -1.9582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203   -1.1673    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  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
  4 18  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0291862

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC2CC(=O)C34CCC(O3)N(O)CCCC24C(=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H23NO4/c1-10-7-11-9-13(19)16-5-3-14(21-16)17(20)6-2-4-15(11,16)12(18)8-10/h10-11,14,20H,2-9H2,1H3

> <INCHI_KEY>
PKOSXQDNEYPWGG-UHFFFAOYSA-N

> <FORMULA>
C16H23NO4

> <MOLECULAR_WEIGHT>
293.363

> <EXACT_MASS>
293.162708225

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
31.04295579551627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione

> <ALOGPS_LOGP>
1.19

> <JCHEM_LOGP>
1.6945427289999988

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.692564713245904

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.025121948079459

> <JCHEM_PKA_STRONGEST_BASIC>
-2.0407927672323813

> <JCHEM_POLAR_SURFACE_AREA>
66.84

> <JCHEM_REFRACTIVITY>
75.6618

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -0.030  -0.582   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.498  -0.772   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.429   0.464   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.004   0.264   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.854   1.563   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.326   1.150   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.503   2.143   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.489  -0.421   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.042   0.278   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.253  -0.795   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.597  -2.247   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.414  -1.441   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       8.132  -3.783   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       9.349  -4.727   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.791  -4.596   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.293  -4.191   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.683  -2.767   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.872  -1.119   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.629  -2.209   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.158  -3.655   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.091  -2.179   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   12   18                                             
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11    8                                                       
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17    4    8   19                                             
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    2                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₃NO₄

Average Mass

293.3630 Da

Monoisotopic Mass

293.16271 Da

IUPAC Name

13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione

Traditional Name

13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione

CAS Registry Number

Not Available

SMILES

CC1CC2CC(=O)C34CCC(O3)N(O)CCCC24C(=O)C1

InChI Identifier

InChI=1S/C16H23NO4/c1-10-7-11-9-13(19)16-5-3-14(21-16)17(20)6-2-4-15(11,16)12(18)8-10/h10-11,14,20H,2-9H2,1H3

InChI Key

PKOSXQDNEYPWGG-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

Species Name	Source	Reference
Phlegmariurus sieboldii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxolanes

Sub Class

Not Available

Direct Parent

Oxolanes

Alternative Parents

Substituents

Oxolane
Ketone
Oxacycle
Azacycle
N-organohydroxylamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aldehyde
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	1.19	ALOGPS
logP	1.69	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	15.03	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	66.84 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	75.66 m³·mol⁻¹	ChemAxon
Polarizability	31.04 Å³	ChemAxon
Number of Rings	4	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

5252358

PDB ID

Not Available

ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione (NP0291862)

MOL for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

3D MOL for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

3D SDF for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

3D-SDF for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

PDB for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

3D PDB for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

SMILES for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

INCHI for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

Structure for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)

3D Structure for NP0291862 (13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione)