NP-MRD: Showing NP-Card for 4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one (NP0215502)

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Record Information

Version

2.0

Created at

2022-09-05 15:08:42 UTC

Updated at

2022-09-05 15:08:42 UTC

NP-MRD ID

NP0215502

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one

Description

4-(5-{[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-14-yl)-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. 4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one is found in Ornithogalum umbellatum. 4-(5-{[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-14-yl)-2,5-dihydrofuran-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171503022D          

 38 43  0  0  0  0            999 V2000
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M  END

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M  END


  Mrv1533004171503022D          

 38 43  0  0  0  0            999 V2000
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    0.6061   -2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0452   -1.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7951    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6179    0.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9288   -0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7298   -0.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3014   -0.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2981   -1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3576   -1.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5974   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8332   -1.0396    0.0000 O   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  1  0  0  0  0
  2  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  1  0  0  0  0
  2 12  1  0  0  0  0
 12 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0215502

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC12CC(O)C3C(CCC4(O)CC(CCC34C)OC3OC(CO)C(O)C3O)C1(O)CCC2C1=CC(=O)OC1

> <INCHI_IDENTIFIER>
InChI=1S/C28H42O10/c1-25-6-3-15(37-24-23(33)22(32)19(12-29)38-24)10-27(25,34)7-4-17-21(25)18(30)11-26(2)16(5-8-28(17,26)35)14-9-20(31)36-13-14/h9,15-19,21-24,29-30,32-35H,3-8,10-13H2,1-2H3

> <INCHI_KEY>
WRKFAYQQRSDZLO-UHFFFAOYSA-N

> <FORMULA>
C28H42O10

> <MOLECULAR_WEIGHT>
538.634

> <EXACT_MASS>
538.277797552

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
57.613418804402905

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
-0.75

> <JCHEM_LOGP>
-0.6140046846666672

> <ALOGPS_LOGS>
-2.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.265903276129507

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.181447384050038

> <JCHEM_PKA_STRONGEST_BASIC>
-2.846334677435422

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
133.1684

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.96e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       8.487  -0.949   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.010   0.499   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.003  -0.678   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.519  -0.407   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.042   1.041   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.049   2.218   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.533   1.947   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.057   3.396   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.541   3.125   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.025   2.854   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.502   1.405   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.494   0.228   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.971  -1.221   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.964  -2.398   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.455  -1.492   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.462  -0.314   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.791  -1.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.923  -0.264   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.495   1.215   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.770   2.079   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.986   1.134   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.355   2.629   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.978  -1.480   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.406  -2.959   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.131  -3.824   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       1.081  -5.363   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -0.084  -2.878   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.439  -1.430   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.558   1.312   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      14.551   0.135   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      16.087   0.246   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      16.667  -1.181   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.162  -1.549   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      19.229  -0.439   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      15.490  -2.173   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      15.601  -3.709   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      14.182  -1.360   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      12.755  -1.941   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7   12                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   29                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2    8    9                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   21                                                  
CONECT   12   11    2   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18   21                                             
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   11   16   22                                             
CONECT   22   21                                                            
CONECT   23   18   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   23                                                       
CONECT   29    5   30                                                       
CONECT   30   29   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   30   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₂O₁₀

Average Mass

538.6340 Da

Monoisotopic Mass

538.27780 Da

IUPAC Name

4-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-2,5-dihydrofuran-2-one

Traditional Name

4-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-5H-furan-2-one

CAS Registry Number

Not Available

SMILES

CC12CC(O)C3C(CCC4(O)CC(CCC34C)OC3OC(CO)C(O)C3O)C1(O)CCC2C1=CC(=O)OC1

InChI Identifier

InChI=1S/C28H42O10/c1-25-6-3-15(37-24-23(33)22(32)19(12-29)38-24)10-27(25,34)7-4-17-21(25)18(30)11-26(2)16(5-8-28(17,26)35)14-9-20(31)36-13-14/h9,15-19,21-24,29-30,32-35H,3-8,10-13H2,1-2H3

InChI Key

WRKFAYQQRSDZLO-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
Ornithogalum umbellatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal glycosides

Alternative Parents

Substituents

Steroidal glycoside
Cardanolide-skeleton
Steroid lactone
14-hydroxysteroid
5-hydroxysteroid
Hydroxysteroid
11-hydroxysteroid
Glycosyl compound
O-glycosyl compound
Pentose monosaccharide
2-furanone
Monosaccharide
Cyclic alcohol
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Acetal
Oxacycle
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Primary alcohol
Alcohol
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	-0.75	ALOGPS
logP	-0.61	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	7.18	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	133.17 m³·mol⁻¹	ChemAxon
Polarizability	57.61 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one (NP0215502)

MOL for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

3D MOL for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

3D SDF for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

3D-SDF for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

PDB for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

3D PDB for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

SMILES for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

INCHI for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

Structure for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)

3D Structure for NP0215502 (4-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one)