NP-MRD: Showing NP-Card for 2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate (NP0204687)

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Record Information

Version

2.0

Created at

2022-09-05 00:24:48 UTC

Updated at

2022-09-05 00:24:48 UTC

NP-MRD ID

NP0204687

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate

Description

2-{5,15'-Dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]Icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate is found in Penicillium thiersii. 2-{5,15'-Dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]Icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161520362D          

 38 43  0  0  0  0            999 V2000
    3.6196   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004161520362D          

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    3.3341   -4.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -5.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469   -4.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629   -4.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166   -3.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0487   -3.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846   -4.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864   -2.9093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384   -1.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9811   -1.9909    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  2  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 14 22  1  0  0  0  0
 17 22  1  0  0  0  0
 15 23  1  0  0  0  0
  6 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 25 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0204687

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CCC2(C)C3(C)C(CC4=C3NC3=CC=CC=C43)CCC2(O)C11CC(=O)C(O)(O1)C(C)(C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H37NO7/c1-17(32)37-25(2,3)30(35)22(33)16-28(38-30)23(36-6)12-13-26(4)27(5)18(11-14-29(26,28)34)15-20-19-9-7-8-10-21(19)31-24(20)27/h7-10,12,18,31,34-35H,11,13-16H2,1-6H3

> <INCHI_KEY>
HGNVJOIZPKHOCX-UHFFFAOYSA-N

> <FORMULA>
C30H37NO7

> <MOLECULAR_WEIGHT>
523.626

> <EXACT_MASS>
523.257002535

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.61244412716881

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate

> <ALOGPS_LOGP>
3.61

> <JCHEM_LOGP>
3.535933237666667

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.042678109281168

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.281560199720145

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6086304376928497

> <JCHEM_POLAR_SURFACE_AREA>
118.08000000000001

> <JCHEM_REFRACTIVITY>
140.54840000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.77e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       6.757  -3.464   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.703  -5.003   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.009  -5.819   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.368  -5.096   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.674  -5.912   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.620  -7.451   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.980  -6.728   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.261  -8.174   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.191  -9.282   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.207  -9.713   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.513 -10.529   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.872  -9.807   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.320 -10.333   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.268  -9.120   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.407  -7.843   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      14.355  -6.630   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      15.802  -7.157   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.162  -6.434   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.468  -7.250   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.414  -8.789   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.054  -9.512   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.748  -8.696   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.926  -8.267   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.602  -6.883   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.955  -7.358   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.740  -8.883   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.224  -9.150   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.548 -10.534   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.501  -7.790   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.224  -8.651   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.571  -6.683   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.511  -6.611   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.691  -5.621   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.331  -7.600   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.521  -5.431   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.048  -3.984   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.058  -2.804   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       5.565  -3.716   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   25                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   23                                             
CONECT    7    6                                                            
CONECT    8    6    9   10   25                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   14   17                                                  
CONECT   23   15    6   12   24                                             
CONECT   24   23                                                            
CONECT   25    8    3   26   31                                             
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29   25                                                       
CONECT   32   29   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Value	Source
2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0,.0,.0,]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetic acid	Generator
2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetic acid	Generator

Chemical Formula

C₃₀H₃₇NO₇

Average Mass

523.6260 Da

Monoisotopic Mass

523.25700 Da

IUPAC Name

2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate

Traditional Name

2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=CCC2(C)C3(C)C(CC4=C3NC3=CC=CC=C43)CCC2(O)C11CC(=O)C(O)(O1)C(C)(C)OC(C)=O

InChI Identifier

InChI=1S/C30H37NO7/c1-17(32)37-25(2,3)30(35)22(33)16-28(38-30)23(36-6)12-13-26(4)27(5)18(11-14-29(26,28)34)15-20-19-9-7-8-10-21(19)31-24(20)27/h7-10,12,18,31,34-35H,11,13-16H2,1-6H3

InChI Key

HGNVJOIZPKHOCX-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
Penicillium thiersii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents

Substituents

3-alkylindole
Acyloin
3-furanone
Benzenoid
Cyclic alcohol
Pyrrole
Tertiary alcohol
Tetrahydrofuran
Heteroaromatic compound
Cyclic ketone
Carboxylic acid ester
Hemiacetal
Ketone
Carboxylic acid derivative
Oxacycle
Azacycle
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Organic oxide
Carbonyl group
Organopnictogen 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	3.61	ALOGPS
logP	3.54	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	9.28	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	118.08 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.55 m³·mol⁻¹	ChemAxon
Polarizability	56.61 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

85384265

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate (NP0204687)

MOL for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

3D MOL for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

3D SDF for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

3D-SDF for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

PDB for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

3D PDB for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

SMILES for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

INCHI for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

Structure for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)

3D Structure for NP0204687 (2-{5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl}propan-2-yl acetate)