NP-MRD: Showing NP-Card for (5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol (NP0245207)

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Record Information

Version

2.0

Created at

2022-09-07 06:11:52 UTC

Updated at

2022-09-07 06:11:52 UTC

NP-MRD ID

NP0245207

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol

Description

Aglinin C belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. (5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol is found in Aglaia tomentosa. (5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol was first documented in 2013 (PMID: 23819302). Based on a literature review a small amount of articles have been published on Aglinin C (PMID: 34520797).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072208112D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072208112D          

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    1.7603   -1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403   -1.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1443   -2.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1711   -3.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803   -2.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9689   -2.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   -1.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6113    1.4304    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
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 24 30  1  0  0  0  0
 20 30  1  1  0  0  0
 19 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 18 33  1  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0245207

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(O)C1(O)CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C

> <INCHI_IDENTIFIER>
InChI=1S/C30H52O4/c1-24(2)21-12-16-28(7)22(26(21,5)14-13-23(24)31)10-9-19-20(11-15-27(19,28)6)29(8)17-18-30(33,34-29)25(3,4)32/h19-23,31-33H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+,30?/m1/s1

> <INCHI_KEY>
KEMSPWHHSQONAW-BGBTXDRXSA-N

> <FORMULA>
C30H52O4

> <MOLECULAR_WEIGHT>
476.742

> <EXACT_MASS>
476.386560154

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
57.33001773011595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S)-5-[(1R,2R,5R,7R,10R,11R,14S,15R)-5-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol

> <JCHEM_LOGP>
5.443581855999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.183867258502637

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.9967015662319

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8350027767159497

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
136.0586

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5S)-5-[(1R,2R,5R,7R,10R,11R,14S,15R)-5-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.519   3.664   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.049   2.218   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.381   2.992   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.042   1.041   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.558   1.312   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      11.519  -0.407   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.003  -0.678   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.010   0.499   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.487  -0.949   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.533   1.947   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.541   3.125   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.025   2.854   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.502   1.405   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.509   2.583   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.494   0.228   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.971  -1.221   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.455  -1.492   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.462  -0.314   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.923  -0.264   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.978  -1.480   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.286  -2.293   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.868  -0.413   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.490  -1.139   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.219  -2.655   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.755  -2.766   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.269  -4.194   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.319  -5.734   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.270  -4.244   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.809  -4.144   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.306  -2.866   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.495   1.215   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.770   2.079   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.986   1.134   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.874   2.670   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   10                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   15                                             
CONECT    9    8                                                            
CONECT   10    8    2   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   33                                             
CONECT   14   13                                                            
CONECT   15   13    8   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   33                                                  
CONECT   19   18   20   31                                                  
CONECT   20   19   21   22   30                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26   30                                             
CONECT   25   24                                                            
CONECT   26   24   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
CONECT   30   24   20                                                       
CONECT   31   19   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   18   13   34                                             
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₂O₄

Average Mass

476.7420 Da

Monoisotopic Mass

476.38656 Da

IUPAC Name

(5S)-5-[(1R,2R,5R,7R,10R,11R,14S,15R)-5-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol

Traditional Name

(5S)-5-[(1R,2R,5R,7R,10R,11R,14S,15R)-5-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol

CAS Registry Number

Not Available

SMILES

CC(C)(O)C1(O)CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C

InChI Identifier

InChI=1S/C30H52O4/c1-24(2)21-12-16-28(7)22(26(21,5)14-13-23(24)31)10-9-19-20(11-15-27(19,28)6)29(8)17-18-30(33,34-29)25(3,4)32/h19-23,31-33H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+,30?/m1/s1

InChI Key

KEMSPWHHSQONAW-BGBTXDRXSA-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
Aglaia tomentosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Substituents

Triterpene saponin
Triterpenoid
24-hydroxysteroid
14-alpha-methylsteroid
3-alpha-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
Steroid
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	5.44	ChemAxon
pKa (Strongest Acidic)	11	ChemAxon
pKa (Strongest Basic)	-0.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	69.92 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	136.06 m³·mol⁻¹	ChemAxon
Polarizability	57.33 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00038392

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

101035072

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wang DX, Yang SM: Chemical constituents from the leaves of Aglaia odorata. Z Naturforsch C J Biosci. 2013 Mar-Apr;68(3-4):82-6. [PubMed:23819302 ]
Pham NK, Bui HT, Tran TH, Hoang TNA, Vu TH, Do DT, Kim YH, Song SB, To DC, Nguyen MC: Dammarane triterpenes and phytosterols from Dysoxylum tpongense Pierre and their anti-inflammatory activity against liver X receptors and NF-kappaB activation. Steroids. 2021 Nov;175:108902. doi: 10.1016/j.steroids.2021.108902. Epub 2021 Sep 11. [PubMed:34520797 ]
LOTUS database [Link]

Showing NP-Card for (5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol (NP0245207)

MOL for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

3D MOL for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

3D SDF for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

3D-SDF for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

PDB for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

3D PDB for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

SMILES for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

INCHI for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

Structure for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)

3D Structure for NP0245207 ((5s)-5-[(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-(2-hydroxypropan-2-yl)-5-methyloxolan-2-ol)