NP-MRD: Showing NP-Card for [12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate (NP0152476)

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Record Information

Version

2.0

Created at

2022-09-02 08:57:43 UTC

Updated at

2022-09-02 08:57:43 UTC

NP-MRD ID

NP0152476

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate

Description

[12-Hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoate belongs to the class of organic compounds known as 1-hydroxysteroids. These are steroids carrying a hydroxyl group at the 1-position of the steroid backbone. [12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate is found in Aspergillus fumigatus. Based on a literature review very few articles have been published on [12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022210572D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022210572D          

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    2.9705   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4009   -2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6709   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0212   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7511   -3.4559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410   -3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -4.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -2.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -2.5204    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
  3  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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 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
 26 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 22 33  1  0  0  0  0
 33 34  2  0  0  0  0
 23 35  1  0  0  0  0
 35 36  1  0  0  0  0
 19 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  7 40  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0152476

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)OCC1(C)C(CCC2(C)C1CCC1(C)OC3=C(C(O)C21)C(=O)OC(=C3)C1=CC=CN=C1)OC(=O)CC

> <INCHI_IDENTIFIER>
InChI=1S/C31H39NO8/c1-6-23(33)37-17-30(4)21-10-13-31(5)27(29(21,3)12-11-22(30)39-24(34)7-2)26(35)25-20(40-31)15-19(38-28(25)36)18-9-8-14-32-16-18/h8-9,14-16,21-22,26-27,35H,6-7,10-13,17H2,1-5H3

> <INCHI_KEY>
JXQHKJNUBWQYRK-UHFFFAOYSA-N

> <FORMULA>
C31H39NO8

> <MOLECULAR_WEIGHT>
553.652

> <EXACT_MASS>
553.26756722

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
60.57375816411191

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoate

> <ALOGPS_LOGP>
4.37

> <JCHEM_LOGP>
2.941193296666666

> <ALOGPS_LOGS>
-5.13

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.843991220529269

> <JCHEM_PKA_STRONGEST_BASIC>
4.2063395726428325

> <JCHEM_POLAR_SURFACE_AREA>
121.25000000000001

> <JCHEM_REFRACTIVITY>
146.6026

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.14e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.668  -1.387   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.148  -1.631   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.599  -3.070   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -5.570  -4.265   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -3.078  -3.313   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.529  -4.752   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.008  -4.996   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.032  -3.456   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.512  -6.451   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.024  -6.742   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.529  -8.197   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.041  -8.488   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.520  -9.361   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.024 -10.817   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.504  -7.615   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.008  -7.324   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.512  -5.869   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.520  -7.033   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.024  -5.578   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.033  -6.742   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.529  -8.197   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.545  -6.451   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.049  -4.996   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.561  -4.705   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.569  -5.869   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.082  -5.578   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.586  -4.123   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.098  -3.832   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.106  -4.996   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      12.602  -6.451   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      11.090  -6.742   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.065  -7.324   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.553  -7.615   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.049  -9.070   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.041  -3.832   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.529  -4.123   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.033  -2.668   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.520  -2.959   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.008  -3.250   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.504  -4.705   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                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   40                                             
CONECT    8    7                                                            
CONECT    9    7   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13                                                            
CONECT   15    9   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   40                                             
CONECT   18   17                                                            
CONECT   19   17   20   36                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   33                                                  
CONECT   23   22   24   35                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   32                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   25   33                                                       
CONECT   33   32   22   34                                                  
CONECT   34   33                                                            
CONECT   35   23   36                                                       
CONECT   36   35   19   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39    7   17                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
[12-Hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoic acid	Generator

Chemical Formula

C₃₁H₃₉NO₈

Average Mass

553.6520 Da

Monoisotopic Mass

553.26757 Da

IUPAC Name

[12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoate

Traditional Name

[12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate

CAS Registry Number

Not Available

SMILES

CCC(=O)OCC1(C)C(CCC2(C)C1CCC1(C)OC3=C(C(O)C21)C(=O)OC(=C3)C1=CC=CN=C1)OC(=O)CC

InChI Identifier

InChI=1S/C31H39NO8/c1-6-23(33)37-17-30(4)21-10-13-31(5)27(29(21,3)12-11-22(30)39-24(34)7-2)26(35)25-20(40-31)15-19(38-28(25)36)18-9-8-14-32-16-18/h8-9,14-16,21-22,26-27,35H,6-7,10-13,17H2,1-5H3

InChI Key

JXQHKJNUBWQYRK-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
Aspergillus fumigatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-hydroxysteroids. These are steroids carrying a hydroxyl group at the 1-position of the steroid backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Hydroxysteroids

Direct Parent

1-hydroxysteroids

Alternative Parents

Substituents

1-hydroxysteroid
Naphthopyran
Naphthalene
Alkyl aryl ether
Pyranone
Dicarboxylic acid or derivatives
Pyran
Pyridine
Vinylogous ester
Heteroaromatic compound
Secondary alcohol
Carboxylic acid ester
Lactone
Organoheterocyclic compound
Oxacycle
Azacycle
Carboxylic acid derivative
Ether
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Alcohol
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
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	4.37	ALOGPS
logP	2.94	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	13.84	ChemAxon
pKa (Strongest Basic)	4.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	121.25 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	146.6 m³·mol⁻¹	ChemAxon
Polarizability	60.57 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

85201835

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate (NP0152476)

MOL for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

3D MOL for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

3D SDF for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

3D-SDF for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

PDB for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

3D PDB for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

SMILES for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

INCHI for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

Structure for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)

3D Structure for NP0152476 ([12-hydroxy-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-8-yl]methyl propanoate)